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 |
