6EPJ
The ATAD2 bromodomain in complex with compound 6
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 | 2016-11-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999870 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 80.191, 80.191, 137.444 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.096 - 1.652 |
R-factor | 0.1788 |
Rwork | 0.177 |
R-free | 0.21230 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.166 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.096 | 1.750 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmeas | 0.056 | 0.828 |
Number of reflections | 59272 | 9476 |
<I/σ(I)> | 24.89 | 2.88 |
Completeness [%] | 99.7 | 98.6 |
Redundancy | 10.4 | 9.54 |
CC(1/2) | 1.000 | 0.821 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 2.0 M ammonium sulfate 0.1 M Bis-tris pH 5.5 |