3UVX
Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K12acK16ac)
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 | 2010-12-06 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.52 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.940, 52.380, 57.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.090 - 1.910 |
R-factor | 0.1697 |
Rwork | 0.167 |
R-free | 0.21870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Ensemble of 2OSS 2ouo 2grc 2oo1 3dai 3d7c |
RMSD bond length | 0.013 |
RMSD bond angle | 1.471 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 24.090 | 22.497 | 2.010 |
High resolution limit [Å] | 1.910 | 6.040 | 1.910 |
Rmerge | 0.112 | 0.072 | 0.617 |
Total number of observations | 1536 | 6402 | |
Number of reflections | 10804 | ||
<I/σ(I)> | 8.1 | 7.1 | 1.2 |
Completeness [%] | 99.9 | 98.2 | 100 |
Redundancy | 4.4 | 3.9 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 278 | 0.35M NaFortmate 20% PEG 3350 10% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K |