4A9E
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-methyl-1,2,3,4- tetrahydroquinazolin-2-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-15 |
| Detector | RIGAKU SATURN A200 |
| 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 | 27.060 - 1.910 |
| R-factor | 0.1666 |
| Rwork | 0.165 |
| R-free | 0.19551 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.898 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.060 | 2.010 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.060 | 0.350 |
| Number of reflections | 33057 | |
| <I/σ(I)> | 13.8 | 3.2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293 | 0.1 M HEPES PH 7, 24-28% PEG 3350, 0.2 M (NH4)2SO4, 20 DEGREES CELSIUS. |
