6R7A
Ligand complex of RORg LBD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.972 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 62.320, 62.320, 157.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.070 - 2.130 |
| R-factor | 0.202 |
| Rwork | 0.201 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | autoBUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.910 | 2.210 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.094 | |
| Number of reflections | 18263 | 1756 |
| <I/σ(I)> | 17.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | ~1.3M NaAcetate pH 7 0.1M Bis-Tris pH 7 |
