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