6EPU
The ATAD2 bromodomain in complex with compound 2
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 | 2016-11-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000360 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.765, 79.765, 136.533 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.556 - 1.800 |
R-factor | 0.1933 |
Rwork | 0.192 |
R-free | 0.21840 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.867 |
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] | 48.556 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.073 | 0.925 |
Number of reflections | 44912 | 7110 |
<I/σ(I)> | 12.83 | 1.79 |
Completeness [%] | 99.6 | 97.9 |
Redundancy | 5.17 | 4.84 |
CC(1/2) | 0.998 | 0.687 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5 |