6EPW
The ATAD2 bromodomain in complex with compound UZH-DU32
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999870 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.072, 79.072, 139.764 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.910 - 1.924 |
R-factor | 0.2238 |
Rwork | 0.223 |
R-free | 0.24290 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.597 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.910 | 2.040 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmeas | 0.046 | 0.849 |
Number of reflections | 37062 | 5875 |
<I/σ(I)> | 23.91 | 2.03 |
Completeness [%] | 99.7 | 98.3 |
Redundancy | 6.87 | 5.88 |
CC(1/2) | 1.000 | 0.832 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 2M ammonium sulfate, 0.1M Bis-Tris pH 5.5 |