6PZU

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with AP-1-62-A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2018-06-28
Detector	RDI CMOS_8M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	54.626, 84.273, 87.355
Unit cell angles	90.00, 98.04, 90.00

Refinement procedure

Resolution	42.390 - 1.740
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]	42.390	1.800
High resolution limit [Å]	1.740	1.740
Rmerge	0.079	0.463
Rpim	0.051	0.406
Number of reflections	75797	5834
<I/σ(I)>	12.7	1.6
Completeness [%]	94.6	69.7
Redundancy	3.3	2.1
CC(1/2)	0.995	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10 mg/mL zCD2 protein, 2 mM AP-1-62-A inhibitor, 0.2 M sodium acetate trihydrate, pH 7.0, 20% w/v PEG3350, 1:1 ratio protein to precipitant