5E9K
Crystal Structure of BAZ2B bromodomain in complex with fragment F275
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.331, 96.181, 57.794 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.090 - 2.067 |
R-factor | 0.1955 |
Rwork | 0.194 |
R-free | 0.21940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ir5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.077 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.090 | 48.090 | 2.180 |
High resolution limit [Å] | 2.067 | 6.530 | 2.067 |
Rmerge | 0.021 | 0.396 | |
Rmeas | 0.054 | ||
Rpim | 0.019 | 0.008 | 0.151 |
Total number of observations | 121784 | 4283 | 17150 |
Number of reflections | 14219 | ||
<I/σ(I)> | 26.3 | 76.2 | 6.1 |
Completeness [%] | 99.6 | 99.7 | 97.8 |
Redundancy | 8.6 | 8.4 | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | PEG500MME (20%), PEG1000 (2%), PEG3350 (2%), PEG20000 (10%), MPD (2%) |