3RCI
Human cyclophilin D complexed with 5-methyl-1,2-oxazol-3-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-15 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.154, 57.154, 87.657 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.020 - 1.440 |
| R-factor | 0.16924 |
| Rwork | 0.168 |
| R-free | 0.19703 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bit |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.392 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | X-PLOR |
| Refinement software | REFMAC (5.4.0062) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.000 | 1.470 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Number of reflections | 25595 | |
| <I/σ(I)> | 1.8 | |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 5 | 5.2 |
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 291K |
