7Q1B
Crystal structure of Trypanosoma cruzi histone deacetylase DAC2 complexed with Quisinostat
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 | 2017-02-16 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00004 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 82.167, 93.584, 119.462 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.790 - 1.750 |
R-factor | 0.1936 |
Rwork | 0.192 |
R-free | 0.21820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t67 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.743 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19rc4_4035) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.810 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.110 | 2.387 |
Number of reflections | 50638 | 8053 |
<I/σ(I)> | 14.2 | 1 |
Completeness [%] | 99.9 | |
Redundancy | 13.3 | 13 |
CC(1/2) | 0.999 | 0.674 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 5%(W/V) PEG 6000, 0.1 M Hepes pH 7.0 |