Ensemble refinement model

PDB 2FI5|dpdb_h7z3dm2a

Ensemble refinement model

Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
239,127
Residues
280
Protein chains
2
Alternate-location fraction
0%
Ligands
CA, EDO, IAS, NA, SO4

Evaluations

R-work
0.158
R-free
0.185
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Cationic trypsin223—
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Pancreatic trypsin inhibitor58
  • MutationC38S

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations