5Y8Y
Crystal Structure Analysis of the BRD4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2015-06-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.620, 47.230, 78.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.250 - 1.870 |
R-factor | 0.1927 |
Rwork | 0.190 |
R-free | 0.24700 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.797 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.17) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.250 | 1.910 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.162 | 0.659 |
Rmeas | 0.173 | 0.705 |
Rpim | 0.061 | 0.245 |
Total number of observations | 79296 | |
Number of reflections | 11017 | 698 |
<I/σ(I)> | 7.1 | |
Completeness [%] | 98.9 | 99.6 |
Redundancy | 7.2 | 7.7 |
CC(1/2) | 0.991 | 0.902 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 20% PEG3350, 0.2M NaNO3, 0.1M HEPES, 10% EtGhly,pH7 |