Ensemble refinement model

PDB 4CR9|dpdb_fdzxyli4

Ensemble refinement model

Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design

Program
PHENIX 2.0_5824
Model type
Ensemble
Purpose
Refinement
Atoms
140,598
Residues
238
Protein chains
1
Alternate-location fraction
0%
Ligands
OTW, SO4

Evaluations

R-work
0.158
R-free
0.189
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Coagulation factor XIa light chain238
  • ConstructCATALYTIC DOMAIN, RESIDUES 388-625
  • MutationsYES

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations