5THU
Crystal Structure of G304A HDAC8 in complex 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 | 2016-05-18 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.18076 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.500, 83.950, 98.400 |
| Unit cell angles | 90.00, 101.83, 90.00 |
Refinement procedure
| Resolution | 48.155 - 1.950 |
| R-factor | 0.1766 |
| Rwork | 0.175 |
| R-free | 0.20020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ewf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.808 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 52.360 |
| High resolution limit [Å] | 1.950 |
| Rmerge | 0.078 |
| Number of reflections | 62024 |
| <I/σ(I)> | 8 |
| Completeness [%] | 99.8 |
| Redundancy | 3 |
| CC(1/2) | 0.991 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100 mM BisTris (pH 6.5), 10% w/v PEG 35000, 4 mM TCEP |
