5NTW
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 | 2015-11-29 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.187, 68.468, 96.717 |
| Unit cell angles | 90.00, 110.32, 90.00 |
Refinement procedure
| Resolution | 19.720 - 1.640 |
| R-factor | 0.2007 |
| Rwork | 0.200 |
| R-free | 0.22230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nti |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.977 |
| 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] | 19.720 | 19.720 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.062 | 0.503 |
| Rmeas | 0.073 | 0.597 |
| Rpim | 0.130 | 0.628 |
| Number of reflections | 126901 | |
| <I/σ(I)> | 13.7 | 2.6 |
| Completeness [%] | 98.0 | 97.4 |
| Redundancy | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 24% PEG3350, 0.2M ammonium acetate, 0.1M bis-TRIS |
