3V3Q
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-08-11 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.242, 76.773, 129.193 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.730 - 2.220 |
R-factor | 0.2131 |
Rwork | 0.209 |
R-free | 0.28620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3v3e |
RMSD bond length | 0.016 |
RMSD bond angle | 1.937 |
Data reduction software | AUTOMAR |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.730 | |
High resolution limit [Å] | 2.220 | 2.220 |
Rmerge | 0.070 | |
Number of reflections | 34891 | |
Completeness [%] | 93.6 | 93.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 289 | 7% PEG 6000, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 289K |