5NOR
Structure of cyclophilin A in complex with 3-methylpyridin-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 | 42.470, 53.710, 87.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.710 - 1.800 |
| R-factor | 0.16204 |
| Rwork | 0.160 |
| R-free | 0.20344 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lud |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.764 |
| 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] | 45.720 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.130 | |
| Number of reflections | 19096 | |
| <I/σ(I)> | 7.7 | 3 |
| Completeness [%] | 99.5 | 99.7 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 279.15 | PEG 8000, Tris-HCl |
