6CSQ
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with cyclohexylhydroxamate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.622, 91.961, 96.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.606 - 2.031 |
R-factor | 0.1783 |
Rwork | 0.176 |
R-free | 0.22340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.601 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.606 | 96.600 | 2.140 |
High resolution limit [Å] | 2.031 | 6.420 | 2.030 |
Rmerge | 0.077 | 0.538 | |
Rmeas | 0.249 | 0.085 | 0.586 |
Rpim | 0.099 | 0.034 | 0.229 |
Total number of observations | 271026 | 8939 | 40478 |
Number of reflections | 43532 | 1531 | 6299 |
<I/σ(I)> | 6.3 | 9.8 | 3.6 |
Completeness [%] | 99.8 | 99.7 | 100 |
Redundancy | 6.2 | 5.8 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 40 mM citrate 60 mM BisTris propane 25% PEG 3,350 |