4UYH
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-((2R,4S)-2-methyl-4-(phenylamino)-6-(4-(piperidin-1-ylmethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)ethanone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-26 |
| Detector | RIGAKU A200 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.722, 55.761, 67.896 |
| Unit cell angles | 90.00, 94.40, 90.00 |
Refinement procedure
| Resolution | 40.960 - 1.730 |
| R-factor | 0.17263 |
| Rwork | 0.171 |
| R-free | 0.20253 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.982 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.450 | 1.820 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.050 | 0.360 |
| Number of reflections | 41770 | |
| <I/σ(I)> | 18.1 | 2.4 |
| Completeness [%] | 93.2 | 60.7 |
| Redundancy | 3.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293 | 0.1M HEPES PH 7.0, 26% PEG3350, 0.2M (NH4)2SO4 20C |
