5HJC
BRD3 second bromodomain in complex with histone H3 acetylation at K18
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-08 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9791 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 79.768, 79.768, 95.262 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.852 - 2.600 |
R-factor | 0.2195 |
Rwork | 0.217 |
R-free | 0.26910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oo1 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.637 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
Rmerge | 0.186 | 0.106 | 0.796 |
Number of reflections | 5939 | ||
<I/σ(I)> | 7 | ||
Completeness [%] | 99.5 | 94.5 | 100 |
Redundancy | 6.7 | 5.8 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 30%(w/v) polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 M MES, 0.1 M guanidine hydrochloride |