4JGV
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-28 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97924 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.084, 76.900, 128.137 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.300 - 3.010 |
| R-factor | 0.18175 |
| Rwork | 0.178 |
| R-free | 0.25587 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.484 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.103 | |
| Number of reflections | 15103 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4.8 | 289 | 7% PEG 6000, pH 4.8, VAPOR DIFFUSION, HANGING DROP, EVAPORATION, temperature 289K |
