6CSP
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with cyclohexenylhydroxamate
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 | 74.700, 91.830, 96.549 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.275 - 1.237 |
R-factor | 0.1285 |
Rwork | 0.127 |
R-free | 0.15330 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.054 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.080 | 59.080 | 1.260 |
High resolution limit [Å] | 1.240 | 6.780 | 1.240 |
Rmerge | 0.101 | 0.048 | 0.593 |
Rmeas | 0.110 | 0.053 | 0.648 |
Rpim | 0.044 | 0.021 | 0.257 |
Total number of observations | 1156727 | 8830 | 57645 |
Number of reflections | 188513 | 1321 | 9284 |
<I/σ(I)> | 10 | 26.9 | 3 |
Completeness [%] | 99.7 | 99.9 | 99.9 |
Redundancy | 6.1 | 6.7 | 6.2 |
CC(1/2) | 0.997 | 0.992 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M ammonium chloride 20% Peg 3,350 |