3EZT
Crystal Structure Analysis of Human HDAC8 D101E Variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0548 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.524, 84.664, 94.723 |
Unit cell angles | 90.00, 98.06, 90.00 |
Refinement procedure
Resolution | 46.890 - 2.850 |
R-factor | 0.225 |
Rwork | 0.225 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t67 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.000 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.119 | 0.437 |
Number of reflections | 19641 | |
<I/σ(I)> | 10.7 | 2.4 |
Completeness [%] | 99.6 | 99.5 |
Redundancy | 3.5 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 298 | Final drop concentrations of 25 mM Tris, 2.5% glycerol, 75 mM KCl, 1-5% PEG DME 2000, 50 mMMES, 1 mM tri(2-carboxyethyl)phosphine (TCEP), 0.03 mM gly-gly-gly, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |