5NOQ
Structure of cyclophilin A in complex with 3-chloropyridin-2-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.180, 53.880, 85.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.650 - 1.600 |
| R-factor | 0.16674 |
| Rwork | 0.165 |
| R-free | 0.19617 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lud |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.975 |
| 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] | 45.650 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.140 | 0.740 |
| Number of reflections | 26543 | |
| <I/σ(I)> | 7.9 | 2.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.4 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 279.15 | PEG 8000, Tris-HCl |
