wwPDB validation report of PDB entry 3SNO

Branched-chain amino acid aminotransferase/4-amino-4-deoxychorismate lyase

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. 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. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 3. 1,2 ETHANEDIOL (EDO) FROM THE CRYOPROTECTANT HAS BEEN MODELED IN THE SOLVENT STRUCTURE. 4. RAMACHANDRAN OUTLIER AT RESIDUE 294 IS IN A REGION OF SUB-OPTIMAL ELECTRON DENSITY. 5. THE STRUCTURE HAS SEVERAL UNMODELED REGIONS WHICH HAVE ELECTRON DENSITY THAT COULD NOT BE RELIABLY INTERPRETED. IN ADDITION, THERE ARE THREE REGIONS OF SUB-OPTIMAL MODEL FIT IN WHICH THE MOST STRUCTURALLY SIMILAR PROTEIN (AS DETERMINED BY THE PROGRAM SSM), PDB ID 5DAA, WAS USED TO GUIDE THE MODELING. THESE INCLUDE RESIDUES 143-150, 204-221 AND 291-295. 6. THE REFINEMENT WAS RESTRAINED WITH THE MAD PHASES.

Crystal structure of a putative aminotransferase (NCgl2491) from Corynebacterium glutamicum ATCC 13032 at 1.60 A resolution

CRYSTAL PACKING ANALYSIS AND SIZE-EXCLUSION CHROMATOGRAPHY IN COMBINATION WITH STATIC LIGHT SCATTERING SUPPORT THE ASSIGNMENT OF A DIMER AS THE SIGNIFICANT OLIGOMERIZATION STATE IN SOLUTION.

The largest off-origin peak in the Patterson function is 8.39% 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)