3SFF
Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-01 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.812, 53.668, 61.338 |
| Unit cell angles | 90.00, 108.99, 90.00 |
Refinement procedure
| Resolution | 29.000 - 2.000 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.22080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 29.000 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.130 |
| Number of reflections | 24068 |
| Completeness [%] | 99.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 100 mM Tris, pH 8.0, 500 mM NDSB-201, 12% PEG3350, 18% isopropanol, cryoprotectant: 15% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
