4NB6
Crystal structure of the ligand binding domain of RORC with T0901317
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] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 61 |
| Unit cell lengths | 99.534, 99.534, 125.777 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.770 - 2.850 |
| R-factor | 0.22157 |
| Rwork | 0.216 |
| R-free | 0.27023 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l0l |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.981 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Number of reflections | 16526 | |
| <I/σ(I)> | 22.8 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.6 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | drops were composed of 1uL of RORC-agonist complex (20 mM Trish-HCL pH 7.0, 200 mM NaCl, 4% glycerol, 5 mM DTT) plus 1 uL of well solution (400 mM Na/K tartrate), VAPOR DIFFUSION, HANGING DROP, temperature 292K |
