3IU6
Crystal structure of the sixth bromodomain of human poly-bromodomain containing protein 1 (PB1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-29 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9763 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 66.400, 66.400, 85.430 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.200 - 1.790 |
R-factor | 0.167 |
Rwork | 0.165 |
R-free | 0.20200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Ensemble of PDB entries 2NXB 2oo1 2oss 2ouo 2rfj 3dai 3d7c 3dwy |
RMSD bond length | 0.016 |
RMSD bond angle | 1.468 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.200 | 1.880 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.136 | 0.870 |
Number of reflections | 21132 | |
<I/σ(I)> | 11.2 | 2 |
Completeness [%] | 99.4 | 96.4 |
Redundancy | 8.4 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.01M ZnCl2, 0.1M Tris-HCl pH 8.0, 20% PEG 6000, 10% Ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277K |