3Q2E
Crystal structure of the second bromodomain of human bromodomain and WD repeat-containing protein 1 isoform A (WDR9)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9700 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 51.660, 51.660, 151.360 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.890 - 1.740 |
R-factor | 0.1867 |
Rwork | 0.185 |
R-free | 0.21910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mb3 2oss 2ouo 2grc 2oo1 3dai 3d7c 3dwy |
RMSD bond length | 0.015 |
RMSD bond angle | 1.450 |
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] | 28.892 | 28.892 | 1.830 |
High resolution limit [Å] | 1.740 | 5.500 | 1.740 |
Rmerge | 0.088 | 0.039 | 0.870 |
Rmeas | 0.043 | 0.951 | |
Rpim | 0.018 | 0.375 | |
Total number of observations | 2782 | 10973 | |
Number of reflections | 12968 | ||
<I/σ(I)> | 12.9 | 29 | 2 |
Completeness [%] | 99.5 | 97.9 | 98 |
Redundancy | 6.7 | 5.6 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.2M (NH4)COOCH3, 0.1M BisTris, 25% PEG 3350 , pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |