6PZO

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with YX-153

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	74.810, 92.580, 96.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.880 - 1.500
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]	66.880	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.310	1.566
Rpim	0.088	0.438
Number of reflections	107228	10523
<I/σ(I)>	6.5	2.3
Completeness [%]	99.7
Redundancy	13.2
CC(1/2)	0.994	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10 mg/mL zCD2 protein, 2 mM YX-153 inhibitor, 0.2 M succinic acid, pH 7.0, 20% w/v PEG3350, 1:1 ratio protein to precipitant