9EGU
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-599
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 | 2021-06-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.790, 91.190, 96.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.036 - 1.270 |
| R-factor | 0.2086 |
| Rwork | 0.208 |
| R-free | 0.22120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.803 |
| 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] | 91.190 | 1.290 |
| High resolution limit [Å] | 1.270 | 1.270 |
| Rmerge | 0.090 | 2.127 |
| Rmeas | 0.097 | 2.377 |
| Rpim | 0.037 | 1.027 |
| Total number of observations | 1079785 | 25511 |
| Number of reflections | 162298 | 5163 |
| <I/σ(I)> | 8.9 | 0.6 |
| Completeness [%] | 93.7 | |
| Redundancy | 6.7 | 4.9 |
| CC(1/2) | 0.999 | 0.313 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 30% PEG 4K, 0.2M NH4 Acet. 0.1M Na Citrate 5.6 |
