5NOX
Structure of cyclophilin A in complex with 2-chloropyridin-3-amine
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 | 2014-02-17 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.780, 54.330, 87.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.470 - 1.490 |
| R-factor | 0.17013 |
| Rwork | 0.169 |
| R-free | 0.19876 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lud |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.032 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.780 | 1.530 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.080 | 0.630 |
| Number of reflections | 33803 | |
| <I/σ(I)> | 12.1 | 2.5 |
| Completeness [%] | 99.1 | 99.4 |
| Redundancy | 7.1 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 279.15 | PEG 8000, Tris-HCl |
