7Q1C
Crystal structure of Trypanosoma cruzi histone deacetylase DAC2 complexed with a hydroxamate inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-26 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.979957 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.071, 95.353, 96.920 |
Unit cell angles | 90.00, 103.50, 90.00 |
Refinement procedure
Resolution | 48.110 - 2.300 |
R-factor | 0.1979 |
Rwork | 0.196 |
R-free | 0.22430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t67 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.927 |
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 | 2.440 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.195 | 1.687 |
Number of reflections | 52026 | 8289 |
<I/σ(I)> | 7.76 | 1.23 |
Completeness [%] | 99.7 | 98.8 |
Redundancy | 7 | 6.78 |
CC(1/2) | 0.995 | 0.425 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 7.5%(W/V) PEG 8K, 0.1 M Bis-tris pH 6.3, 0.2 M MgCl2 |