Ensemble refinement model
PDB 4MF0|dpdb_9pmram6z
Ensemble refinement model
ITK kinase domain in complex with benzothiazole inhibitor compound 12a (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE (12a)
- Program
- PHENIX phenix.ensemble_refinement
- Model type
- Ensemble
- Purpose
- Refinement
- Atoms
- 156,795
- Residues
- 477
- Protein chains
- 2
- Alternate-location fraction
- 0%
- Ligand
- 29Z
Evaluations
R-work
0.182
R-free
0.242
Clashscore
—
Macromolecules
The same in every model of this entry.
Data
L0 Raw
L1 Processed
L2 Models
L3 Evaluations