4A9I
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-methyl-1,2,3,4- tetrahydroquinazolin-2-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-05 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.232, 55.531, 67.975 |
| Unit cell angles | 90.00, 94.85, 90.00 |
Refinement procedure
| Resolution | 68.040 - 2.250 |
| R-factor | 0.19743 |
| Rwork | 0.195 |
| R-free | 0.25211 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.077 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.100 | 0.410 |
| Number of reflections | 19710 | |
| <I/σ(I)> | 14.6 | 2 |
| Completeness [%] | 97.8 | 96.6 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293 | 0.1 M HEPES PH 7.0, 28% PEG 3350, 0.2 M (NH4)2SO4, 20 DEGREES CELSIUS |
