3K2J
Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
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 | 2009-07-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 65 |
| Unit cell lengths | 81.390, 81.390, 79.475 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.220 - 2.200 |
| R-factor | 0.227 |
| Rwork | 0.224 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Ensemble of 2NXB 2oo1 2oss 2ouo 2rfj 3dai 3d7c 3dwy |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.459 |
| 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] | 36.221 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.074 | 0.744 |
| Number of reflections | 15266 | |
| <I/σ(I)> | 14.4 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.1M NaOAc.3H20 pH 5.5, 1.1M (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
