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 |
