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. |