6Q0Z

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JS28

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	2017-06-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	48.170, 55.340, 74.240
Unit cell angles	73.04, 89.86, 83.01

Refinement procedure

Resolution	37.800 - 1.750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eem
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.800	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.120	0.735
Rpim	0.070	0.435
Number of reflections	73413	5538
<I/σ(I)>	8.5	1.9
Completeness [%]	81.7	78.4
Redundancy	3.8	3.8
CC(1/2)	0.995	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10 mg/mL zCD2 protein, 2.0 mM JS28 inhibitor, 0.2 M sodium citrate, 20% w/v PEG3350, 1:1 ratio of protein to precipitant