6EPT
The ATAD2 bromodomain in complex with compound 12
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 | 2017-02-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.740, 79.740, 139.211 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.023 - 1.650 |
R-factor | 0.2033 |
Rwork | 0.202 |
R-free | 0.22620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f36 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.750 |
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] | 49.023 | 1.750 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmeas | 0.044 | 0.044 |
Number of reflections | 59426 | 9409 |
<I/σ(I)> | 21.33 | 1.17 |
Completeness [%] | 99.6 | 97.7 |
Redundancy | 6.07 | 3.22 |
CC(1/2) | 1.000 | 0.645 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 2M ammonium sulfate, 0.1M Bis-Tris pH 5.5 |