4QM0
Crystal structure of RORc in complex with a tertiary sulfonamide inverse agonist
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2011-07-29 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 61 |
Unit cell lengths | 99.051, 99.051, 129.666 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.890 - 2.195 |
R-factor | 0.1859 |
Rwork | 0.181 |
R-free | 0.22870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.077 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 36816 | |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 100 mM Bis-Tris propane pH 8.5, 200- 600 mM Sodium Potassium Tartrate and 10-15% Peg 3350 after 4 days at 19 C, VAPOR DIFFUSION, HANGING DROP, temperature 292K |