5CBU
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 | 2013-04-20 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 57.638, 57.638, 114.735 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.600 - 1.400 |
| R-factor | 0.16859 |
| Rwork | 0.167 |
| R-free | 0.19719 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bit |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.615 |
| 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] | 40.600 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.046 | 0.297 |
| Number of reflections | 38921 | |
| <I/σ(I)> | 19.2 | 5.1 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 7 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 294 | 4M potassium formate, 0.1M BIS-TRIS propane pH 9, 2% w/v PEG2000mme |
