5CCN
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 | 2013-06-28 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.984 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 57.450, 57.450, 114.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.200 - 1.800 |
| R-factor | 0.18041 |
| Rwork | 0.179 |
| R-free | 0.20749 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bit |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.006 |
| 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] | 38.200 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.101 | 0.121 |
| Number of reflections | 81366 | |
| <I/σ(I)> | 11 | 7.5 |
| Completeness [%] | 96.5 | 91.9 |
| Redundancy | 4.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 294 | 4M potassium formate, 0.1M BIS-TRIS propane, 2% w/v PEG2000mme |
