9FXP
Crystal structure of BRD4 BD1 with DI00626383.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-10 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.990, 43.980, 78.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.880 - 1.880 |
| R-factor | 0.1825 |
| Rwork | 0.181 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.880 | 1.990 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.087 | 0.317 |
| Rmeas | 0.094 | 0.356 |
| Rpim | 0.036 | 0.159 |
| Total number of observations | 68160 | 5592 |
| Number of reflections | 10493 | 1222 |
| <I/σ(I)> | 19 | 5 |
| Completeness [%] | 96.4 | |
| Redundancy | 6.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16.5 % PEG 3350, 0.1 M sodium nitrate, 8 % ethylene glycol |
