7OE8
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N5-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-3-(1H-indol-4-yl)-N7-methyl-2,3-dihydrobenzofuran-5,7-dicarboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.934, 52.389, 31.998 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.510 - 1.301 |
| R-factor | 0.2042 |
| Rwork | 0.204 |
| R-free | 0.21470 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | in house model |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.850 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | BUSTER (2.11.7 (6-FEB-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.510 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.077 | 0.303 |
| Number of reflections | 29361 | 3570 |
| <I/σ(I)> | 15.8 | 5.5 |
| Completeness [%] | 96.6 | 82.6 |
| Redundancy | 15.8 | 5.5 |
| CC(1/2) | 0.997 | 0.924 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 30% PEG 300, 0.1M MES buffer pH6.5 |
