6CSS

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with cyclopentenylhydroxamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	74.791, 92.021, 96.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.320 - 1.700
R-factor	0.1707
Rwork	0.170
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.697
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]	96.640	96.640	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.224	0.068	1.558
Rmeas	0.242	0.075	1.700
Rpim	0.091	0.029	0.670
Total number of observations	507763	3469	24521
Number of reflections	74006	595	3865
<I/σ(I)>	8.6	13.7	3.4
Completeness [%]	100.0	99.9	100
Redundancy	6.9	5.8	6.3
CC(1/2)	0.991	0.994	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M ammonium tartrate 20% PEG 3,350