6HI7
The ATAD2 bromodomain in complex with compound 10
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 | 80.516, 80.516, 137.850 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.019 - 1.743 |
R-factor | 0.1948 |
Rwork | 0.194 |
R-free | 0.21520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f36 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.020 |
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] | 49.019 | 1.850 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmeas | 0.059 | 1.780 |
Number of reflections | 50938 | 8125 |
<I/σ(I)> | 21.66 | 1.31 |
Completeness [%] | 99.7 | 98.5 |
Redundancy | 10.41 | 10.31 |
CC(1/2) | 1.000 | 0.606 |
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 |