4AKN
N-Terminal Bromodomain of Human BRD2 With tbutyl-phenyl-amino- dimethyl-oxazolyl-quinoline-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-04 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.314, 55.730, 67.991 |
Unit cell angles | 90.00, 94.34, 90.00 |
Refinement procedure
Resolution | 67.730 - 1.820 |
R-factor | 0.1695 |
Rwork | 0.168 |
R-free | 0.19731 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.005 |
RMSD bond angle | 0.870 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.860 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.070 | 0.380 |
Number of reflections | 37838 | |
<I/σ(I)> | 21.9 | 2.7 |
Completeness [%] | 99.5 | 100 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 293 | 20-26 % PEG3350, 0.2 M (NH4)2SO4, 100 MM HEPES PH 7.0. AT 20C |