5D26
First bromodomain of BRD4 bound to inhibitor XD28
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 | 2012-10-11 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.470, 49.590, 58.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.400 - 1.820 |
R-factor | 0.16168 |
Rwork | 0.159 |
R-free | 0.18747 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.219 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 12.400 | 1.920 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.069 | 0.176 |
Number of reflections | 10724 | |
<I/σ(I)> | 10.5 | 2.3 |
Completeness [%] | 99.5 | 98.9 |
Redundancy | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG3350, Hepes, magnesium chloride |