4A9N
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-cyclopropyl-5-(3,5- dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-08 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.967, 55.725, 68.126 |
| Unit cell angles | 90.00, 94.96, 90.00 |
Refinement procedure
| Resolution | 67.880 - 1.850 |
| R-factor | 0.1747 |
| Rwork | 0.174 |
| R-free | 0.19507 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.904 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.880 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.050 | 0.380 |
| Number of reflections | 35351 | |
| <I/σ(I)> | 22.2 | 2.1 |
| Completeness [%] | 97.7 | 86 |
| Redundancy | 3.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293 | 0.1 M HEPES PH 7.0, 22-28% PEG 3350, 0.2 M (NH4)2SO4, 20 DEGREES CELSIUS. |
