5NOZ
Structure of cyclophilin A in complex with 3,4-diaminobenzohydrazide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.690, 54.490, 86.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.950 - 1.610 |
| R-factor | 0.18975 |
| Rwork | 0.188 |
| R-free | 0.21609 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lud |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.991 |
| 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] | 38.310 | 1.650 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.080 | 0.710 |
| Number of reflections | 26129 | 1868 |
| <I/σ(I)> | 13.2 | 2.3 |
| Completeness [%] | 97.3 | 95.8 |
| Redundancy | 6.3 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 279.15 | PEG 8000, Tris-HCl |
