wwPDB validation report of PDB entry 4F7A

Vertical focusing mirror; double crystal Si(111) monochromator

THE CONSTRUCT WAS EXPRESSED WITH AN N-TERMINAL PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING GLY 0 FOLLOWED BY RESIDUES 28-537 OF THE TARGET SEQUENCE.

1. 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 FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL S-MET INCORPORATION. 2. GLYCEROL (GOL), POLYETHYLENE GLYCOL (PGE), AND A SODIUM ION (NA) FROM THE CRYSTALLIZATION SOLUTION HAVE BEEN MODELED INTO THE STRUCTURE.3. ATOM RECORDS CONTAIN THE SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 4. WATERS WERE EXCLUDED FROM TLS REFINEMENT. 5. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

Crystal structure of a susd homolog (BVU_2203) from Bacteroides vulgatus ATCC 8482 at 1.85 A resolution

The largest off-origin peak in the Patterson function is 2.12% 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)