4TZ2
Fragment-Based Screening of the Bromodomain of ATAD2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-02 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.203, 79.203, 136.036 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.020 - 1.700 |
R-factor | 0.1713 |
Rwork | 0.169 |
R-free | 0.20110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dai |
RMSD bond length | 0.019 |
RMSD bond angle | 1.607 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.020 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.071 | |
Number of reflections | 28313 | |
<I/σ(I)> | 25.89 | 7.41 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 23.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 0.1 M Bis-Tris, pH 6.0, 2.2 M (NH4)2SO4, 10% glycerol |