3RDD
Human Cyclophilin A Complexed with an Inhibitor
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 | 2009-03-18 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.774, 52.377, 86.965 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.460 - 2.140 |
| R-factor | 0.21829 |
| Rwork | 0.216 |
| R-free | 0.27165 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cyh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.230 |
| 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] | 35.000 | 2.195 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Number of reflections | 10078 | |
| <I/σ(I)> | 1.2 | |
| Completeness [%] | 98.7 | 97.2 |
| Redundancy | 2.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 100 mM HEPES, 20% PEG10000, 5% ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
