5X8X
Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Compound A.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-01-18 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.300, 72.600, 99.320 |
| Unit cell angles | 90.00, 89.98, 90.00 |
Refinement procedure
| Resolution | 29.310 - 2.600 |
| R-factor | 0.20042 |
| Rwork | 0.199 |
| R-free | 0.23310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l0l |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.650 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.300 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.069 | 0.588 |
| Number of reflections | 33867 | 2475 |
| <I/σ(I)> | 9.1 | 2 |
| Completeness [%] | 97.2 | 97.4 |
| Redundancy | 3.5 | 3.5 |
| CC(1/2) | 0.996 | 0.787 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 299 | 0.1M Hepes pH6.9, 12% PEG6000 |
