wwPDB validation report of PDB entry 7XTO

Structure of ClA2 reveal the Mechanism of soil bacterial derived chlorinase

(chain "B" and (resid 6 through 7 or (resid 8 and (name N or name CA or name C or name O or name CB )) or resid 9 through 10 or (resid 11 and (name N or name CA or name C or name O or name CB )) or resid 12 through 51 or (resid 52 and (name N or name CA or name C or name O or name CB )) or (resid 53 through 55 and (name N or name CA or name C or name O or name CB )) or resid 56 through 87 or (resid 88 and (name N or name CA or name C or name O or name CB )) or resid 89 through 93 or (resid 94 and (name N or name CA or name C or name O or name CB )) or resid 95 through 106 or (resid 107 and (name N or name CA or name C or name O or name CB )) or resid 108 through 124 or (resid 125 through 127 and (name N or name CA or name C or name O or name CB )) or resid 128 through 153 or (resid 154 and (name N or name CA or name C or name O or name CB )) or resid 155 through 158 or (resid 159 through 160 and (name N or name CA or name C or name O or name CB )) or resid 161 through 162 or (resid 163 and (name N or name CA or name C or name O or name CB )) or resid 164 through 168 or (resid 169 and (name N or name CA or name C or name O or name CB )) or resid 170 or resid 180 through 193 or (resid 194 and (name N or name CA or name C or name O or name CB )) or resid 195 through 198 or resid 209 through 210 or (resid 211 through 215 and (name N or name CA or name C or name O or name CB )) or resid 221 through 233 or (resid 234 and (name N or name CA or name C or name O or name CB )) or (resid 235 through 238 and (name N or name CA or name C or name O or name CB )) or resid 239 through 247 or (resid 248 through 250 and (name N or name CA or name C or name O or name CB )) or resid 251 through 254 or (resid 255 and (name N or name CA or name C or name O or name CB )) or resid 256 through 261 or resid 263 or resid 265 or resid 301))

(chain "A" and (resid 6 through 7 or (resid 8 and (name N or name CA or name C or name O or name CB )) or resid 9 through 10 or (resid 11 and (name N or name CA or name C or name O or name CB )) or resid 12 through 51 or (resid 52 and (name N or name CA or name C or name O or name CB )) or (resid 53 through 55 and (name N or name CA or name C or name O or name CB )) or resid 56 through 87 or (resid 88 and (name N or name CA or name C or name O or name CB )) or resid 89 through 90 or (resid 91 and (name N or name CA or name C or name O or name CB )) or resid 92 through 93 or (resid 94 and (name N or name CA or name C or name O or name CB )) or resid 95 through 101 or (resid 102 and (name N or name CA or name C or name O or name CB )) or resid 103 through 106 or (resid 107 and (name N or name CA or name C or name O or name CB )) or resid 108 through 124 or (resid 125 through 127 and (name N or name CA or name C or name O or name CB )) or resid 128 through 153 or (resid 154 and (name N or name CA or name C or name O or name CB )) or resid 155 through 158 or (resid 159 through 160 and (name N or name CA or name C or name O or name CB )) or resid 161 through 165 or (resid 166 through 167 and (name N or name CA or name C or name O or name CB )) or resid 168 or (resid 169 and (name N or name CA or name C or name O or name CB )) or resid 170 or resid 180 through 193 or (resid 194 and (name N or name CA or name C or name O or name CB )) or resid 195 through 198 or resid 209 through 215 or resid 221 through 236 or (resid 237 through 238 and (name N or name CA or name C or name O or name CB )) or resid 239 through 242 or (resid 243 and (name N or name CA or name C or name O or name CB )) or resid 244 through 247 or (resid 248 through 250 and (name N or name CA or name C or name O or name CB )) or resid 251 through 261 or resid 263 or resid 265 or resid 305))

(chain "C" and (resid 6 through 7 or (resid 8 and (name N or name CA or name C or name O or name CB )) or resid 9 through 17 or (resid 18 and (name N or name CA or name C or name O or name CB )) or resid 19 through 50 or (resid 51 through 52 and (name N or name CA or name C or name O or name CB )) or (resid 53 through 55 and (name N or name CA or name C or name O or name CB )) or resid 56 through 87 or (resid 88 and (name N or name CA or name C or name O or name CB )) or resid 89 through 93 or (resid 94 and (name N or name CA or name C or name O or name CB )) or resid 95 through 101 or (resid 102 and (name N or name CA or name C or name O or name CB )) or resid 103 through 106 or (resid 107 and (name N or name CA or name C or name O or name CB )) or resid 108 through 165 or (resid 166 through 167 and (name N or name CA or name C or name O or name CB )) or resid 168 or (resid 169 and (name N or name CA or name C or name O or name CB )) or resid 170 or (resid 180 through 181 and (name N or name CA or name C or name O or name CB )) or resid 182 through 183 or (resid 184 through 186 and (name N or name CA or name C or name O or name CB )) or resid 187 through 193 or (resid 194 and (name N or name CA or name C or name O or name CB )) or resid 195 through 198 or (resid 209 and (name N or name CA or name C or name O or name CB )) or resid 210 through 211 or (resid 212 through 215 and (name N or name CA or name C or name O or name CB )) or resid 221 through 233 or (resid 234 and (name N or name CA or name C or name O or name CB )) or (resid 235 through 238 and (name N or name CA or name C or name O or name CB )) or resid 239 through 247 or (resid 248 through 250 and (name N or name CA or name C or name O or name CB )) or resid 251 through 254 or (resid 255 and (name N or name CA or name C or name O or name CB )) or resid 256 through 261 or resid 263 or resid 265 or resid 301))

(chain "D" and (resid 6 through 7 or (resid 8 and (name N or name CA or name C or name O or name CB )) or resid 9 through 10 or (resid 11 and (name N or name CA or name C or name O or name CB )) or resid 12 through 17 or (resid 18 and (name N or name CA or name C or name O or name CB )) or resid 19 through 50 or (resid 51 through 52 and (name N or name CA or name C or name O or name CB )) or resid 53 through 65 or (resid 66 and (name N or name CA or name C or name O or name CB )) or resid 67 through 87 or (resid 88 and (name N or name CA or name C or name O or name CB )) or resid 89 through 93 or (resid 94 and (name N or name CA or name C or name O or name CB )) or resid 95 through 101 or (resid 102 and (name N or name CA or name C or name O or name CB )) or resid 103 through 124 or (resid 125 through 127 and (name N or name CA or name C or name O or name CB )) or resid 128 through 158 or (resid 159 through 160 and (name N or name CA or name C or name O or name CB )) or resid 161 through 162 or (resid 163 and (name N or name CA or name C or name O or name CB )) or resid 164 through 170 or (resid 180 through 181 and (name N or name CA or name C or name O or name CB )) or resid 182 through 193 or (resid 194 and (name N or name CA or name C or name O or name CB )) or resid 195 through 198 or (resid 209 and (name N or name CA or name C or name O or name CB )) or resid 210 through 211 or (resid 212 through 221 and (name N or name CA or name C or name O or name CB )) or resid 222 through 236 or (resid 237 through 238 and (name N or name CA or name C or name O or name CB )) or resid 239 through 244 or (resid 245 and (name N or name CA or name C or name O or name CB )) or resid 246 through 247 or (resid 248 through 250 and (name N or name CA or name C or name O or name CB )) or resid 251 through 254 or (resid 255 and (name N or name CA or name C or name O or name CB )) or resid 256 through 260 or (resid 261 and (name N or name CA or name C or name O or name CB )) or resid 263 or resid 265 or resid 302))

(chain "E" and (resid 6 through 7 or (resid 8 and (name N or name CA or name C or name O or name CB )) or resid 9 through 10 or (resid 11 and (name N or name CA or name C or name O or name CB )) or resid 12 through 17 or (resid 18 and (name N or name CA or name C or name O or name CB )) or resid 19 through 50 or (resid 51 through 52 and (name N or name CA or name C or name O or name CB )) or (resid 53 through 55 and (name N or name CA or name C or name O or name CB )) or resid 56 through 87 or (resid 88 and (name N or name CA or name C or name O or name CB )) or resid 89 through 93 or (resid 94 and (name N or name CA or name C or name O or name CB )) or resid 95 through 101 or (resid 102 and (name N or name CA or name C or name O or name CB )) or resid 103 through 126 or (resid 127 and (name N or name CA or name C or name O or name CB )) or resid 128 through 162 or (resid 163 and (name N or name CA or name C or name O or name CB )) or resid 164 through 168 or (resid 169 and (name N or name CA or name C or name O or name CB )) or resid 170 or resid 180 through 183 or (resid 184 through 186 and (name N or name CA or name C or name O or name CB )) or resid 187 through 198 or resid 209 through 213 or (resid 214 through 215 and (name N or name CA or name C or name O or name CB )) or resid 221 through 241 or (resid 242 through 243 and (name N or name CA or name C or name O or name CB )) or resid 244 through 254 or (resid 255 and (name N or name CA or name C or name O or name CB )) or resid 256 through 261 or resid 263 through 265 or resid 301))

(chain "F" and (resid 6 through 10 or (resid 11 and (name N or name CA or name C or name O or name CB )) or resid 12 through 17 or (resid 18 and (name N or name CA or name C or name O or name CB )) or resid 19 through 50 or (resid 51 through 52 and (name N or name CA or name C or name O or name CB )) or (resid 53 through 55 and (name N or name CA or name C or name O or name CB )) or resid 56 through 101 or (resid 102 and (name N or name CA or name C or name O or name CB )) or resid 103 through 104 or (resid 105 through 107 and (name N or name CA or name C or name O or name CB )) or resid 108 through 124 or (resid 125 through 127 and (name N or name CA or name C or name O or name CB )) or resid 128 through 165 or (resid 166 through 167 and (name N or name CA or name C or name O or name CB )) or resid 168 or (resid 169 and (name N or name CA or name C or name O or name CB )) or resid 170 or resid 180 through 193 or (resid 194 and (name N or name CA or name C or name O or name CB )) or resid 195 through 211 or (resid 212 through 221 and (name N or name CA or name C or name O or name CB )) or resid 222 through 233 or (resid 234 and (name N or name CA or name C or name O or name CB )) or (resid 235 through 238 and (name N or name CA or name C or name O or name CB )) or resid 239 through 244 or (resid 245 and (name N or name CA or name C or name O or name CB )) or resid 246 through 247 or (resid 248 through 250 and (name N or name CA or name C or name O or name CB )) or resid 251 through 254 or (resid 255 and (name N or name CA or name C or name O or name CB )) or resid 256 through 263 or resid 265 or resid 302))

The analyses of the Patterson function reveals a significant off-origin peak that is 56.41 % of the origin peak, indicating pseudo-translational symmetry. The chance of finding a peak of this or larger height by random in a structure without pseudo-translational symmetry is equal to 2.7473e-05. The detected translational NCS is most likely also responsible for the elevated intensity ratio. See the relevant section of the logfile for more details.

structure factor analysis and validation
geometric validation package for ligand chemistry in protein x-ray structures
20191225.v01 (using entries in the PDB archive December 25th 2019)