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Ensemble refinement model

PDB 1TO2|dpdb_uidku29b

Ensemble refinement model

crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59K, in pH 9 cryosoak

Program
PHENIX 1.21.2_5419
Model type
Ensemble
Purpose
Refinement
Atoms
285,626
Residues
345
Protein chains
2
Alternate-location fraction
0%
Ligands
15P, CA, CIT, NA

Evaluations

R-work
0.140
R-free
0.149
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Subtilisin BPN'281
  • Bacillus amyloliquefaciens1390
  • MutationsC-terminal 6-His tag
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
chymotrypsin inhibitor 264
  • Hordeum vulgare subsp. vulgare112509
  • MutationsI45A I59K

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations