6UIM

Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 7-{[(3-aminopropyl)amino]-2-oxoheptyl} thioacetate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	.97946
Spacegroup name	P 31 2 1
Unit cell lengths	80.871, 80.871, 241.540
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.730 - 2.750
R-factor	0.2259
Rwork	0.223
R-free	0.27570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5td7
RMSD bond length	0.004
RMSD bond angle	0.644
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]	45.730	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.168	0.890
Rpim	0.085	0.448
Number of reflections	24629	2416
<I/σ(I)>	7.2	1.9
Completeness [%]	99.8
Redundancy	8.8
CC(1/2)	0.990	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10 mg/mL zHDAC10, 5 mM inhibitor 2, 1:1000 trypsin:zHDAC10, 0.2 M potassium phosphate monobasic, 20% PEG3350, and 0.5% (w/v) n-dodecyl-B-D-maltoside