3MUL
Crystal structure of Brd4 bromodomain 1 with butyrylated histone H3-K(buty)14
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) | 0.978946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.004, 47.232, 77.977 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.600 - 1.650 |
R-factor | 0.18046 |
Rwork | 0.178 |
R-free | 0.22578 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3jvj |
RMSD bond length | 0.025 |
RMSD bond angle | 2.114 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC (5.5.0072) |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.600 | 1.700 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.080 | 0.502 |
Number of reflections | 15640 | |
<I/σ(I)> | 20.8 | 4.1 |
Completeness [%] | 99.5 | 98.8 |
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 |