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 |