5CQ3
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 6-Hydroxypicolinic 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 | 2013-03-09 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.987 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 80.511, 97.030, 58.203 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.568 - 1.925 |
R-factor | 0.2017 |
Rwork | 0.200 |
R-free | 0.23920 |
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] | 29.100 | 29.100 | 1.970 |
High resolution limit [Å] | 1.920 | 8.600 | 1.920 |
Rmerge | 0.080 | 0.039 | 0.841 |
Rpim | 0.034 | 0.016 | 0.368 |
Total number of observations | 112657 | 1393 | 6629 |
Number of reflections | 17474 | ||
<I/σ(I)> | 14.2 | 39.2 | 2 |
Completeness [%] | 98.8 | 97.4 | 89.2 |
Redundancy | 6.4 | 6.1 | 5.8 |
CC(1/2) | 0.998 | 0.998 | 0.861 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 30% PEG600 , 0.1M MES pH 6.0 |