6HIA
The ATAD2 bromodomain in complex with compound 13
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 | 2017-09-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.999990 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.139, 79.139, 138.031 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.569 - 1.897 |
R-factor | 0.2064 |
Rwork | 0.205 |
R-free | 0.23150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f36 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.065 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3211: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.569 | 2.010 |
High resolution limit [Å] | 1.897 | 1.900 |
Rmeas | 0.060 | 0.857 |
Number of reflections | 38116 | 6072 |
<I/σ(I)> | 21.15 | 1.95 |
Completeness [%] | 99.4 | 98.1 |
Redundancy | 5.75 | 5.59 |
CC(1/2) | 1.000 | 0.773 |
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 |