5Y8W
Crystal Structure Analysis of the BRD4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2015-05-23 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.970, 48.200, 77.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.960 - 1.760 |
R-factor | 0.1914 |
Rwork | 0.189 |
R-free | 0.23580 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.776 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.14) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.680 | 1.800 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.081 | 0.480 |
Rmeas | 0.089 | 0.531 |
Rpim | 0.037 | 0.221 |
Number of reflections | 14984 | 833 |
<I/σ(I)> | 11 | |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 5.6 | 5.5 |
CC(1/2) | 0.998 | 0.952 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 277 | 20% PEG3350, 0.2M NaNO3, 0.1M HEPES, 10% EtGhly,pH8.2 |