5Y94
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 | 2015-09-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.850, 48.310, 77.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.020 - 2.000 |
R-factor | 0.1798 |
Rwork | 0.177 |
R-free | 0.22330 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.839 |
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] | 77.640 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.102 | 0.435 |
Rmeas | 0.111 | 0.473 |
Rpim | 0.043 | 0.182 |
Total number of observations | 64977 | |
Number of reflections | 10326 | 731 |
<I/σ(I)> | 11 | |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 6.3 | 6.5 |
CC(1/2) | 0.996 | 0.946 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 20% PEG3350, 0.2M NaNO3, 0.1M HEPES, 10% EtGhly,pH8.0 |