Ensemble refinement model

PDB 5RL2|dpdb_h09tvwrm

Ensemble refinement model

PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-26 (Mpro-x3115)

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
124,216
Residues
304
Protein chains
1
Alternate-location fraction
0%
Ligands
DMS, VEM

Evaluations

R-work
0.191
R-free
0.233
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
3C-like proteinase306
  • Severe acute respiratory syndrome coronavirus 22697049
—

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations