4TU4
Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 193 |
Detector technology | CCD |
Collection date | 2014-02-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11587 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.288, 79.288, 137.945 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 61.470 - 1.730 |
R-factor | 0.185 |
Rwork | 0.184 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dai |
RMSD bond length | 0.011 |
RMSD bond angle | 1.370 |
Data scaling software | SCALA (3.3.21) |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.665 | 1.820 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 1.649 | |
Number of reflections | 27509 | |
<I/σ(I)> | 14 | 0.4 |
Completeness [%] | 99.9 | 100 |
Redundancy | 16.9 | 17.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 2.1-2.4M Ammonium Sulfate, 0.1M Bis-Tris pH 5.5, 10% Glycerol. |