Ensemble refinement model

PDB 5A91|dpdb_l9bf0lh9

Ensemble refinement model

15K X-ray ligand free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
221,290
Residues
260
Protein chains
1
Alternate-location fraction
0%
Ligand
SO4

Evaluations

R-work
0.143
R-free
0.160
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Beta-lactamase Toho-1262
  • Escherichia coli562
  • MutationsYES

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations