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 |
