6FGL
Crystal Structure of BAZ2A bromodomain in complex with acetylindole compound UZH47
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 95.184, 95.184, 33.127 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.216 - 2.100 |
R-factor | 0.1933 |
Rwork | 0.191 |
R-free | 0.22390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mgj |
RMSD bond length | 0.007 |
RMSD bond angle | 0.806 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.590 | 47.590 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.179 | 0.047 | 1.060 |
Rmeas | 0.188 | 0.050 | 1.109 |
Rpim | 0.057 | 0.016 | 0.325 |
Total number of observations | 112162 | ||
Number of reflections | 10271 | 157 | 812 |
<I/σ(I)> | 12.5 | ||
Completeness [%] | 99.9 | 99.5 | 100 |
Redundancy | 10.9 | 10.5 | 11.4 |
CC(1/2) | 0.996 | 0.996 | 0.769 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 20% PEG3350, 0.2 M MgCl2 |