9VNX
Crystal Structure of the mutant ROR gamma LBD With Compound 28
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 61.664, 61.664, 155.779 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.340 - 1.930 |
| R-factor | 0.1891 |
| Rwork | 0.188 |
| R-free | 0.21820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.472 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.660 | 1.980 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.184 | 1.847 |
| Rmeas | 0.188 | 1.881 |
| Rpim | 0.036 | 0.352 |
| Number of reflections | 22946 | 1473 |
| <I/σ(I)> | 17.3 | 2.4 |
| Completeness [%] | 98.3 | |
| Redundancy | 26.5 | |
| CC(1/2) | 0.999 | 0.792 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 297 | 0.1M sodium acetate (pH 7.0), 3.5M ammonium acetate |
