6UO2

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) complexed with Trichostatin A

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	2019-07-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	53.030, 124.261, 55.520
Unit cell angles	90.00, 114.09, 90.00

Refinement procedure

Resolution	50.685 - 1.650
R-factor	0.189023392601
Rwork	0.187
R-free	0.22244
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eef
RMSD bond length	0.006
RMSD bond angle	0.801
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.685	1.700
High resolution limit [Å]	1.650	1.650
Rmerge	0.064	0.546
Rpim	0.041	0.350
Number of reflections	77846	7694
<I/σ(I)>	9.9	2
Completeness [%]	99.1
Redundancy	3.4
CC(1/2)	0.997	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10 mg/ml HDAC6 CD1 2 mM Inhibitor 0.2 M ammonium tartrate dibasic (pH 7.0) 20% PEG 3350 1:1 protein precipitant drop ratio