8B5G
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-21 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.906, 52.421, 32.086 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.808 - 1.619 |
| Rwork | 0.148 |
| R-free | 0.18270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | In house |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.230 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.390 | 1.710 |
| High resolution limit [Å] | 1.619 | 1.619 |
| Rmerge | 0.013 | 0.031 |
| Number of reflections | 15360 | 1928 |
| <I/σ(I)> | 52.1 | 22.2 |
| Completeness [%] | 96.3 | 85 |
| Redundancy | 2.5 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% PEG 300, 0.1M MES buffer pH6.5 |
