3MUK
Crystal structure of Brd4 bromodomain 1 with propionylated histone H3-K(prop)23
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-15 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.213, 47.008, 78.101 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.600 - 1.750 |
R-factor | 0.17451 |
Rwork | 0.172 |
R-free | 0.21879 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3jvj |
RMSD bond length | 0.023 |
RMSD bond angle | 1.936 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.600 | 1.800 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.086 | 0.532 |
Number of reflections | 13605 | |
<I/σ(I)> | 20.1 | 4.2 |
Completeness [%] | 99.7 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 3.6M Na formate, 10% glycerol, soaked with 20-times excess of histone octapeptide, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |