4QA4
Crystal structure of H334R HDAC8 in complex with M344
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 | 2013-01-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 80.665, 80.665, 107.383 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.571 - 1.980 |
R-factor | 0.179 |
Rwork | 0.177 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ewf |
RMSD bond length | 0.003 |
RMSD bond angle | 0.769 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1370)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.079 | 1.198 |
Number of reflections | 28649 | |
<I/σ(I)> | 27.3 | 2 |
Completeness [%] | 99.9 | 98.9 |
Redundancy | 12.9 | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 294 | 0.1 M Imidazole (pH = 7.0), 4 mM tris(2-carboxyethyl)phosphine (TCEP), 20% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 294K |