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Ensemble refinement model

PDB 6BVH|dpdb_n3t3hwtx

Ensemble refinement model

Trypsin complexed with a modified sunflower trypsin inhibitor, SFTI-TCTR(N12,N14)

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
77,057
Residues
237
Protein chains
2
Alternate-location fraction
0%
Ligands
CA, GOL, SO4

Evaluations

R-work
0.145
R-free
0.177
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Cationic trypsin223—
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Trypsin inhibitor 114
  • Helianthus annuus4232
  • MutationsR2T, K4R, F12N, D14N compared to UNP Q4GWU5, residues 40-53

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations