4K5Y
Crystal structure of human corticotropin-releasing factor receptor 1 (CRF1R) in complex with the antagonist CP-376395
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 200 |
| Detector technology | PIXEL |
| Collection date | 2012-07-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96860 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 86.559, 123.968, 166.834 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.140 - 2.977 |
| R-factor | 0.2428 |
| Rwork | 0.242 |
| R-free | 0.26460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 3EML; 3PBL |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.395 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.140 | 3.140 |
| High resolution limit [Å] | 2.970 | 2.970 |
| Rmerge | 0.136 | 0.442 |
| Number of reflections | 30535 | |
| <I/σ(I)> | 6.7 | 1.9 |
| Completeness [%] | 86.3 | 68.2 |
| Redundancy | 2.5 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 5.5 | 295.6 | 30% (v/v) PEG 400, 0.2M lithium sulphate, 0.1M sodium citrate 5.5, Lipidic Cubic Phase, temperature 295.6K |
