6HIB
The ATAD2 bromodomain in complex with compound 14
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-27 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.000031 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 80.020, 80.020, 138.337 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.956 - 2.029 |
R-factor | 0.2107 |
Rwork | 0.208 |
R-free | 0.23060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f36 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.139 |
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] | 48.956 | 2.150 |
High resolution limit [Å] | 2.029 | 2.030 |
Rmeas | 0.107 | 1.360 |
Number of reflections | 32104 | 5177 |
<I/σ(I)> | 13.42 | |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 5.67 | 5.04 |
CC(1/2) | 0.999 | 0.523 |
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 |