6ZS2
Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-26 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.91842 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.180, 64.910, 48.770 |
Unit cell angles | 90.00, 100.88, 90.00 |
Refinement procedure
Resolution | 34.249 - 1.570 |
R-factor | 0.180774575223 |
Rwork | 0.179 |
R-free | 0.21532 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dkd |
RMSD bond length | 0.005 |
RMSD bond angle | 0.773 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.300 | 1.600 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.061 | 0.246 |
Number of reflections | 35278 | 1915 |
<I/σ(I)> | 16.1 | 6.8 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 6.2 | |
CC(1/2) | 0.998 | 0.973 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Crystallization buffer: 20% medium-molecular-weight PEG smear, 0.1 M Tris pH 8.5 |