7JVW
Crystal structure of human histone deacetylase 8 (HDAC8) G320R mutation complexed with M344
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-09 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.980, 82.750, 94.520 |
| Unit cell angles | 90.00, 98.84, 90.00 |
Refinement procedure
| Resolution | 48.990 - 2.403 |
| R-factor | 0.198349862029 |
| Rwork | 0.195 |
| R-free | 0.25433 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ewf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.934 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.750 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.148 | 0.961 |
| Rpim | 0.090 | 0.571 |
| Number of reflections | 31564 | 30670 |
| <I/σ(I)> | 8.7 | 1.7 |
| Completeness [%] | 97.4 | 96 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.981 | 0.578 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.3 | 294 | 0.1 M MES, pH 5.3, 3% PEG1500, 4 mM TCEP |
