5ZA1
Ligand complex of RORgt LBD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-02-06 |
| Detector | RIGAKU |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 61 |
| Unit cell lengths | 97.501, 97.501, 128.114 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.750 - 2.520 |
| R-factor | 0.1897 |
| Rwork | 0.186 |
| R-free | 0.25580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b0w |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.090 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.610 |
| High resolution limit [Å] | 2.520 | 2.520 |
| Rmerge | 0.074 | 0.487 |
| Number of reflections | 23398 | 4441 |
| <I/σ(I)> | 31.4 | |
| Completeness [%] | 99.2 | |
| Redundancy | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M BisTris propane pH6.5, 0.9M Ammonium tartrate |
