5DC6
Crystal structure of D176N-Y306F HDAC8 in complex with a tetrapeptide substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.332, 98.206, 104.281 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.103 - 1.553 |
| R-factor | 0.1477 |
| Rwork | 0.147 |
| R-free | 0.16630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ewf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.246 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1833) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.103 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.110 | 1.039 |
| Number of reflections | 122036 | |
| <I/σ(I)> | 15.6 | 2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.1 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 100 mM Tris (pH 8.0), 13% (w/v) PEG 8000, and 4 mM TCEP |
