4YMQ
X-ray co-structure of nuclear receptor ROR-GAMMAT + SRC2 peptide with a benzothiadiazole dioxide inverse agonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-04-07 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 61.909, 61.909, 156.965 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.955 - 2.000 |
| R-factor | 0.2001 |
| Rwork | 0.198 |
| R-free | 0.23850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.586 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.780 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.074 | 0.729 |
| Number of reflections | 21380 | |
| <I/σ(I)> | 13.7 | 2.2 |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 11.62 | 11.82 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG 4000 (2-8%), NaCl 0.5M, PIPES (0.1M) |
