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 |