6UII

Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 5-[(3-aminopropyl)amino]pentane-1-thiol

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	2019-04-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	80.780, 80.780, 244.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.960 - 2.650
R-factor	0.2065
Rwork	0.204
R-free	0.26150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5td7
RMSD bond length	0.005
RMSD bond angle	0.719
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.960	2.750
High resolution limit [Å]	2.650	2.650
Rmerge	0.132	1.510
Rpim	0.064	0.725
Number of reflections	27778	2710
<I/σ(I)>	11.5	2.1
Completeness [%]	100.0
Redundancy	9.7
CC(1/2)	0.995	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10 mg/mL zHDAC10, 5 mM inhibitor 6, 1:1000 trypsin:zHDAC10, 0.2 M potassium phosphate monobasic, 20% PEG3350, and 4% v/v polypropylene glycol