5CCS
Human Cyclophilin D Complexed with Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-21 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.270, 58.700, 77.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.690 - 2.100 |
| R-factor | 0.16214 |
| Rwork | 0.160 |
| R-free | 0.19561 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bit |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.805 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.700 | 2.200 |
| High resolution limit [Å] | 1.600 | 2.100 |
| Rmerge | 0.052 | 0.088 |
| Number of reflections | 8627 | |
| <I/σ(I)> | 16.2 | 7 |
| Completeness [%] | 63.3 | 67 |
| Redundancy | 4.1 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294 | 25% w/v PEG3350, 0.1M TRIS-HCL pH 8 |
