4WQP
Crystal structure of RORc in complex with a benzyl sulfonamide inverse agonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979490 |
| Spacegroup name | P 61 |
| Unit cell lengths | 99.735, 99.735, 129.606 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.970 - 1.990 |
| R-factor | 0.15106 |
| Rwork | 0.150 |
| R-free | 0.18005 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.044 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.972 | 1.993 |
| High resolution limit [Å] | 1.986 | 1.986 |
| Rmerge | 0.620 | |
| <I/σ(I)> | 22.5 | 3.7 |
| Completeness [%] | 98.9 | 97.4 |
| Redundancy | 7.7 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 20 mM Tris-HCl pH 7.0, 200 mM NaCl, 4 % Glycerol, 5 mM DTT |
