3EWF
Crystal Structure Analysis of human HDAC8 H143A variant complexed with 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 | CCD |
Collection date | 2008-07-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97926 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.903, 91.844, 196.577 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.150 - 2.500 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v5w |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.137 | 0.517 |
Number of reflections | 52790 | |
<I/σ(I)> | 11.8 | 1.8 |
Completeness [%] | 99.4 | 95.2 |
Redundancy | 7.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | Reservoir solution: 50 mM Tris-HCl, 50 mM MgCl2, 150 mM KCl, 13% PEG 6000, 2 mM TCEP. Enzyme was incubated with 3.2 mM substrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | Reservoir solution: 50 mM Tris-HCl, 50 mM MgCl2, 150 mM KCl, 13% PEG 6000, 2 mM TCEP. Enzyme was incubated with 3.2 mM substrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |