7NQ2
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-N4-cyclopropyl-N2-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
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 | 2010-01-31 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.889, 52.382, 32.114 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.638 - 1.735 |
Rwork | 0.161 |
R-free | 0.19440 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.004 |
RMSD bond angle | 1.218 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.110 | 1.830 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.061 | 0.400 |
Number of reflections | 12927 | 1842 |
<I/σ(I)> | 13.2 | 2.6 |
Completeness [%] | 98.5 | 98.3 |
Redundancy | 2.8 | 2.7 |
CC(1/2) | 0.997 | 0.792 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 30% PEG 300, 0.1M MES buffer pH6.5 |