7OET
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1,5-dimethyl-N-(2-(methylamino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethyl)-6-oxo-N-(2-phenyl-2-(pyridin-2-yl)ethyl)-1,6-dihydropyridine-3-carboxamide
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-15 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.96600 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.620, 52.390, 31.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.696 - 1.410 |
Rwork | 0.180 |
R-free | 0.19590 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | in house structure |
RMSD bond length | 0.004 |
RMSD bond angle | 1.128 |
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 | 1.430 |
High resolution limit [Å] | 1.410 | 1.410 |
Rmerge | 0.037 | 0.656 |
Number of reflections | 23909 | 1157 |
<I/σ(I)> | 17.4 | 2.1 |
Completeness [%] | 99.3 | 99.6 |
Redundancy | 4.3 | 4.5 |
CC(1/2) | 0.999 | 0.718 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 30% PEG 300, 0.1M MES buffer pH6.5 |