6TQ2
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(4-(4-fluorophenyl)-1H-imidazol-5-yl)-1-methylpyridin-2(1H)-one
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97950 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.790, 55.850, 67.440 |
| Unit cell angles | 90.00, 94.03, 90.00 |
Refinement procedure
| Resolution | 40.893 - 2.260 |
| Rwork | 0.202 |
| R-free | 0.26910 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | not published |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.188 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.280 | 2.380 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.089 | 0.233 |
| Number of reflections | 20095 | 2923 |
| <I/σ(I)> | 9 | 4.9 |
| Completeness [%] | 98.9 | 99.3 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Hepes pH 7.0, 24-28% PEG3350, 0.2M (NH4)2SO4 |
