5W4V
Structure of RORgt bound to a tertiary alcohol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2012-02-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 133.118, 133.118, 181.843 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.348 - 2.650 |
| R-factor | 0.3446 |
| Rwork | 0.343 |
| R-free | 0.38350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3LOL |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.529 |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 2.650 |
| Number of reflections | 54160 |
| <I/σ(I)> | 5.6 |
| Completeness [%] | 99.2 |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Tris-HCl, pH 8.4, 3.3 %(w/v) PEG 8000 |
