6PZR

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	75.883, 97.364, 97.642
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.940 - 2.300
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]	68.940	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.361	1.298
Rpim	0.154	0.547
Number of reflections	32376	3216
<I/σ(I)>	3.4	1.4
Completeness [%]	98.6
Redundancy	6.4
CC(1/2)	0.977	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10 mg/mL zCD2 protein, 2 mM Resminostat inhibitor, 0.2 M potassium iodide, 20% w/v PEG3350, 1:1 ratio protein to precipitant