6GS6
Cyclophilin A single mutant D66A in complex with an inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-24 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 63.010, 63.010, 94.720 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.280 - 1.160 |
| R-factor | 0.15075 |
| Rwork | 0.150 |
| R-free | 0.16990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rdd |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.373 |
| Data reduction software | xia2 |
| Data scaling software | pointless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.280 | 1.180 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.048 | |
| Rpim | 0.017 | 0.723 |
| Number of reflections | 75550 | 3671 |
| <I/σ(I)> | 14.2 | 1 |
| Completeness [%] | 99.6 | 99.27 |
| Redundancy | 9.1 | 6.5 |
| CC(1/2) | 0.999 | 0.704 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 2.2 M Ammonium Sulfate |
