1VBS
STRUCTURE OF CYCLOPHILIN COMPLEXED WITH (D)ALA CONTAINING TETRAPEPTIDE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 174 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 67.100, 67.100, 95.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | UNLIGATED CYCLOPHILIN A |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.088 | |
| Number of reflections | 15416 | |
| <I/σ(I)> | 5.3 | |
| Completeness [%] | 88.0 | 76 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | pH 8.2 |
