3MZ4
Crystal structure of D101L Mn2+ HDAC8 complexed with M344
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2010-03-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97930 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.353, 91.148, 104.547 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.350 - 1.845 |
R-factor | 0.20575 |
Rwork | 0.201 |
R-free | 0.24869 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.238 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.845 | 1.845 |
Rmerge | 0.099 | 0.406 |
Number of reflections | 72518 | |
<I/σ(I)> | 19.2 | 4.1 |
Completeness [%] | 99.0 | 98 |
Redundancy | 7.3 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 298 | Drop composition: 25 mM Tris, 2.5% glycerol, 75 mM KCl, 1-5% PEG MME 550, 50 mM MES, 1 mM tri(2-carboxyethyl)phosphine (TCEP), 0.03 mM gly-gly-gly, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K |