6A22
Ternary complex of Human ROR gamma Ligand Binding Domain With Compound T.
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 | 2013-08-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.926, 73.277, 100.204 |
| Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
| Resolution | 77.930 - 2.550 |
| R-factor | 0.21883 |
| Rwork | 0.217 |
| R-free | 0.24283 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x8x |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.872 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.930 | 2.620 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Number of reflections | 35566 | 2198 |
| <I/σ(I)> | 8.5 | 2.4 |
| Completeness [%] | 96.2 | 79.8 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 299 | 0.1M Hepes pH6.9, 12% PEG6000 |
