5F36
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A12
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 | 2015-05-27 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.00003 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.804, 79.804, 137.220 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.691 - 1.500 |
R-factor | 0.17 |
Rwork | 0.169 |
R-free | 0.18950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dai |
RMSD bond length | 0.009 |
RMSD bond angle | 1.105 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.112 | 48.691 | 1.580 |
High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
Rmerge | 0.031 | 0.818 | |
Rmeas | 0.045 | ||
Rpim | 0.010 | 0.008 | 0.198 |
Total number of observations | 793117 | 25480 | 104413 |
Number of reflections | 42035 | ||
<I/σ(I)> | 35 | 84.8 | 4.3 |
Completeness [%] | 99.7 | 99.9 | 98.2 |
Redundancy | 18.9 | 16.5 | 17.7 |
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 |