5X8Q
Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin.
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 | 2011-05-21 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.630, 71.940, 99.210 |
| Unit cell angles | 90.00, 90.06, 90.00 |
Refinement procedure
| Resolution | 79.630 - 2.200 |
| R-factor | 0.19317 |
| Rwork | 0.191 |
| R-free | 0.24110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l0l |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.602 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.630 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.049 | 0.486 |
| Number of reflections | 57108 | |
| <I/σ(I)> | 12.5 | 1.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 299 | 0.1M MES pH6.0, 10% PEG6000, Sitting DROP, temperature 299K |
