6R7K
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 | 2015-02-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 61.790, 61.790, 159.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.810 - 1.540 |
| R-factor | 0.2039 |
| Rwork | 0.203 |
| R-free | 0.21350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | autoBUSTER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.810 | 1.590 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.062 | |
| Number of reflections | 45414 | 3549 |
| <I/σ(I)> | 21.2 | |
| Completeness [%] | 97.4 | |
| Redundancy | 12.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | ~1.3M NaFormate 0.1M Hepes pH 8.2 |
