6R7J
Ligand complex of RORg LBD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 62.170, 62.170, 158.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.350 - 1.840 |
| R-factor | 0.2056 |
| Rwork | 0.203 |
| R-free | 0.24920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | autoBUSTER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.860 | 1.900 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.095 | |
| Number of reflections | 26332 | 2512 |
| <I/σ(I)> | 16.6 | |
| Completeness [%] | 95.0 | |
| Redundancy | 12.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | ~1.3M NaFormate 0.1M Hepes pH 7-7.5 |
