4LBD
LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO THE SYNTHETIC AGONIST BMS961
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 123 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 59.882, 59.882, 155.958 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 5.000 - 2.500 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2lbd |
| RMSD bond length | 0.011 |
| RMSD bond angle | 21.700 * |
| Data reduction software | MARXDS |
| Data scaling software | MARSCALE |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.970 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.096 * | 0.320 * |
| Number of reflections | 9894 | |
| <I/σ(I)> | 15.28 | 4.67 |
| Completeness [%] | 95.4 | 97.3 |
| Redundancy | 2.98 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | 17 * | pH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4.5 (mg/ml) | |
| 10 | 1 | reservoir | PIPES | 0.1 (M) | |
| 11 | 1 | reservoir | 0.2 (M) | ||
| 2 | 1 | drop | BMS961 | 0.4 (mM) | |
| 3 | 1 | drop | Tris-HCl | 10 (mM) | |
| 4 | 1 | drop | dithiothreitol | 15 (mM) | |
| 5 | 1 | drop | 500 (mM) | ||
| 6 | 1 | drop | n-dodecyl-beta-D-maltoside | 0.15 (mM) | |
| 7 | 1 | drop | CHAPS | 2 (mM) | |
| 8 | 1 | drop | glycerol | 4 (%) | |
| 9 | 1 | drop | ethanol | 2 (%) |
