7JVV
Crystal structure of human histone deacetylase 8 (HDAC8) E66D/Y306F double mutation complexed with a tetrapeptide substrate
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 | 2015-08-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.048, 97.470, 104.254 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.970 - 1.840 |
R-factor | 0.166 |
Rwork | 0.164 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ewf |
RMSD bond length | 0.006 |
RMSD bond angle | 0.810 |
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] | 45.970 | 1.910 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.111 | 0.760 |
Rpim | 0.052 | 0.355 |
Number of reflections | 72663 | 70664 |
<I/σ(I)> | 13.8 | 2.3 |
Completeness [%] | 97.5 | 99.4 |
Redundancy | 5.2 | 5.1 |
CC(1/2) | 0.999 | 0.759 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294 | 0.1 M Tris, pH 8.0, 20% PEG6000, 4 mM TCEP |