5NTQ
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-09-24 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99990 |
| Spacegroup name | P 61 |
| Unit cell lengths | 99.748, 99.748, 124.392 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.820 - 2.260 |
| R-factor | 0.2392 |
| Rwork | 0.238 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ntk |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.969 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.820 | 19.820 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.112 | 0.571 |
| Rmeas | 0.118 | 0.601 |
| Rpim | 0.066 | 0.319 |
| Number of reflections | 32797 | |
| <I/σ(I)> | 13.9 | 3.7 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 10.2 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 15% Tacsimate, 4% PEG3350, 0.1M HEPES |
