Ensemble refinement model

PDB 2FI4|dpdb_eag6wrrf

Ensemble refinement model

Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
158,969
Residues
280
Protein chains
2
Alternate-location fraction
0%
Ligands
CA, EDO, IAS, NA, SO4

Evaluations

R-work
0.160
R-free
0.186
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Cationic trypsin223
  • MutationN112D
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Pancreatic trypsin inhibitor58
  • MutationC14S

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations