5CUG
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 4-Acetamidobenzoic acid (SGC - Diamond I04-1 fragment screening)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-03-10 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9201 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.577, 96.721, 58.029 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.692 - 1.780 |
R-factor | 0.2022 |
Rwork | 0.201 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
Data scaling software | Aimless (0.1.29) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.010 | 29.010 | 1.810 |
High resolution limit [Å] | 1.780 | 8.880 | 1.780 |
Rmerge | 0.051 | 0.032 | 0.844 |
Rpim | 0.021 | 0.014 | 0.362 |
Total number of observations | 148969 | 1272 | 7756 |
Number of reflections | 22736 | ||
<I/σ(I)> | 20.1 | 58.9 | 2.1 |
Completeness [%] | 99.5 | 97.3 | 93.6 |
Redundancy | 6.6 | 6 | 6.2 |
CC(1/2) | 0.999 | 0.999 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 30% PEG600, 0.1M MES pH 6.0 |