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 |
