3RD9
Human Cyclophilin D Complexed with a Fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-15 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.214, 57.214, 87.198 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.660 - 1.400 |
| R-factor | 0.12306 |
| Rwork | 0.122 |
| R-free | 0.14965 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bit |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.193 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | X-PLOR |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.700 | 1.436 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 26731 | |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 96.3 | 79.8 |
| Redundancy | 7.1 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 291 | 30% PEG4000, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 100K, temperature 291K |
