6SLZ
Crystal structure of human ROR gamma LBD in complex with a (quinolinoxymethyl)benzamide inverse agonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2012-06-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.95011 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 125.670, 56.330, 80.920 |
| Unit cell angles | 90.00, 124.76, 90.00 |
Refinement procedure
| Resolution | 49.450 - 2.200 |
| R-factor | 0.2092 |
| Rwork | 0.206 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b0w |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.664 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.098 | 0.692 |
| Rmeas | 0.012 | 0.823 |
| Number of reflections | 23696 | 3711 |
| <I/σ(I)> | 8.14 | 1.68 |
| Completeness [%] | 98.4 | 96.5 |
| Redundancy | 3.3 | 3.3 |
| CC(1/2) | 0.995 | 0.824 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2M NH4 formate, 20% w/v PEG 3350 |
