5Y8C
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 | 2015-04-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.200, 47.200, 78.069 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.390 - 1.420 |
R-factor | 0.1892 |
Rwork | 0.188 |
R-free | 0.21370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mxf |
RMSD bond length | 0.011 |
RMSD bond angle | 1.537 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.17) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 78.070 | 78.070 | 1.450 |
High resolution limit [Å] | 1.420 | 7.780 | 1.420 |
Rmerge | 0.084 | 0.094 | 0.450 |
Rmeas | 0.087 | 0.099 | 0.470 |
Rpim | 0.025 | 0.028 | 0.135 |
Number of reflections | 25180 | 201 | 1233 |
<I/σ(I)> | 16.7 | ||
Completeness [%] | 99.8 | 99.8 | 99.9 |
Redundancy | 11.5 | 10.3 | 11.8 |
CC(1/2) | 0.998 | 0.994 | 0.983 |
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,pH 8.2 |