8B5J
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-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 | 2015-02-11 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.802, 52.416, 31.983 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.927 - 1.603 |
| Rwork | 0.146 |
| R-free | 0.17070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.288 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.420 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.016 | 0.066 |
| Number of reflections | 15172 | 1762 |
| <I/σ(I)> | 47.9 | 15 |
| Completeness [%] | 92.6 | 69.4 |
| Redundancy | 3.5 | 2.6 |
| CC(1/2) | 0.998 | 0.957 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 273 | 30% PEG 300, 0.1M MES buffer pH6.5 |
