4MEO
Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-methyl-quinoline ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-03-17 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.52 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.500, 44.180, 78.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.240 - 1.720 |
| R-factor | 0.1676 |
| Rwork | 0.165 |
| R-free | 0.21260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.554 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.240 | 29.240 | 1.810 |
| High resolution limit [Å] | 1.720 | 5.420 | 1.720 |
| Rmerge | 0.101 | 0.042 | 0.619 |
| Number of reflections | 14452 | ||
| <I/σ(I)> | 9.2 | 14.8 | 1.2 |
| Completeness [%] | 99.8 | 99.5 | 99.1 |
| Redundancy | 4.4 | 4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.20M LiCl, 0.1M TRIS, 20.0% PEG 6K, 10.0% EtGly, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
