4UIV
BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4- oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2- carboximidamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Collection date | 2014-11-16 |
| Spacegroup name | P 1 |
| Unit cell lengths | 24.682, 33.836, 39.542 |
| Unit cell angles | 68.09, 73.70, 73.35 |
Refinement procedure
| Resolution | 28.220 - 1.720 |
| R-factor | 0.14029 |
| Rwork | 0.139 |
| R-free | 0.17337 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.642 |
| Data reduction software | XDS |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.220 | 1.820 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.020 | 0.060 |
| Number of reflections | 10790 | |
| <I/σ(I)> | 28.1 | 1.8 |
| Completeness [%] | 91.5 | 83 |
| Redundancy | 2.1 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 277 | 0.1M MORPHEUS BUFFER PH 6.5, 30% MORPHEUS_EDO_P8K,0.1M MORPHEUS AMINO ACIDS 4C |
