wwPDB validation report of PDB entry 3DUK

FLAT COLLIMATING MIRROR, TOROID FOCUSING MIRROR

THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE.

1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ATOM RECORDS CONTAIN FULL B FACTORS INCLUDING TLS CONTRIBUTIO 3. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY OF THE SE ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 TO ACCOUNT FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL S-MET INCORPORATION. 4. DATA HAS MEROHEDRAL TWINNING WITH THE TWIN OPERATOR (-H,-K,L) AND A REFINED TWIN FRACTION OF 0.295. 5. THE R-FREE SET WAS GENERATED USING THE TWIN LAWS. 6. 1,2-ETHANEDIOL (EDO) WAS MODELED BASED ON CRYOPROTECTANT CONDITIONS. 7. RAMACHANDRAN OUTLIERS ARE LOCATED IN GOOD DENSITY.

CRYSTAL STRUCTURE OF A NTF2-LIKE PROTEIN OF UNKNOWN FUNCTION (MFLA_0564) FROM METHYLOBACILLUS FLAGELLATUS KT AT 2.200 A RESOLUTION

chain A and (not resid 0:10) and (not resid 90-110) and (not element H)

chain B and (not resid 0:10) and (not resid 90-110) and (not element H)

chain C and (not resid 0:10) and (not resid 90-110) and (not element H)

chain D and (not resid 0:10) and (not resid 90-110) and (not element H)

chain E and (not resid 0:10) and (not resid 90-110) and (not element H)

chain F and (not resid 0:10) and (not resid 90-110) and (not element H)

The largest off-origin peak in the Patterson function is 12.31% of the height of the origin peak. No significant pseudotranslation is detected.

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)