6EPV
The ATAD2 bromodomain in complex with compound 5
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 | 79.482, 79.482, 138.006 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.732 - 1.793 |
R-factor | 0.2105 |
Rwork | 0.210 |
R-free | 0.21740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.927 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.732 | 1.900 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmeas | 0.049 | 0.961 |
Number of reflections | 45731 | 7320 |
<I/σ(I)> | 19.4 | 1.76 |
Completeness [%] | 99.8 | 99.1 |
Redundancy | 5.85 | 5.71 |
CC(1/2) | 0.999 | 0.734 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 2M ammonium sulfate, 0.1M Bis-Tris pH 5.5 |