4TZ8
Structure of human ATAD2 bromodomain bound to fragment inhibitor
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 | 2012-12-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.942, 79.942, 138.259 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.616 - 2.150 |
R-factor | 0.2017 |
Rwork | 0.198 |
R-free | 0.23060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dai |
RMSD bond length | 0.002 |
RMSD bond angle | 0.562 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.620 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.113 | |
Number of reflections | 14730 | |
<I/σ(I)> | 13.19 | |
Completeness [%] | 99.3 | 97.71 |
Redundancy | 23.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 0.1 M Bis-Tris, pH 5.5, 2.5 M (NH4)2SO4, crystals generated at 277 K, fragment soaked at 291 K overnight |