5A85
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-ylamino-3-methyl-1,2-dihydro-1,7- naphthyridin-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 | 2012-01-12 |
| Detector | RIGAKU SATURN A200 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.189, 48.652, 61.052 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.260 - 1.720 |
| R-factor | 0.18761 |
| Rwork | 0.185 |
| R-free | 0.23584 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.967 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.050 | 1.810 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.050 | 0.390 |
| Number of reflections | 14101 | |
| <I/σ(I)> | 20.1 | 3.3 |
| Completeness [%] | 99.3 | 96.9 |
| Redundancy | 4.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1M HEPES PH 7.0, 20% PEG 6000, 0.2M LICL |
