9EFX
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-584
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.770, 82.570, 105.820 |
| Unit cell angles | 90.00, 115.13, 90.00 |
Refinement procedure
| Resolution | 58.570 - 1.262 |
| Rwork | 0.303 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.948 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.570 | 1.280 |
| High resolution limit [Å] | 1.260 | 1.260 |
| Rmerge | 0.062 | 1.435 |
| Rmeas | 0.074 | 2.023 |
| Rpim | 0.040 | 1.424 |
| Total number of observations | 865808 | 1133 |
| Number of reflections | 281534 | 731 |
| <I/σ(I)> | 10.4 | 0.4 |
| Completeness [%] | 73.5 | |
| Redundancy | 3.1 | 1.5 |
| CC(1/2) | 0.997 | 0.305 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 15% PEG 3350, 0.2M Ammonium acetate |
