7OES
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-N-(2-phenylpropyl)-1,6-dihydropyridine-3-carboxamide
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 | 2016-10-25 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.647, 52.388, 31.987 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.007 - 1.602 |
Rwork | 0.155 |
R-free | 0.18320 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | in house structure |
RMSD bond length | 0.003 |
RMSD bond angle | 1.176 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.290 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.017 | 0.066 |
Number of reflections | 15516 | 1660 |
<I/σ(I)> | 33.1 | 10.2 |
Completeness [%] | 94.6 | 71 |
Redundancy | 2.4 | 1.7 |
CC(1/2) | 0.996 | 0.924 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 30% PEG 300, 0.1M MES buffer pH6.5 |