6VNQ

Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Bishydroxamic Acid Based Inhibitor

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	2019-08-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9791
Spacegroup name	P 31 2 1
Unit cell lengths	80.549, 80.549, 245.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.760 - 2.050
R-factor	0.1945
Rwork	0.193
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5td7
RMSD bond length	0.009
RMSD bond angle	0.983
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]	69.760	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.105	1.349
Rpim	0.053	0.666
Number of reflections	58990	5813
<I/σ(I)>	12.12	2.2
Completeness [%]	100.0
Redundancy	9
CC(1/2)	0.998	0.685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10 mg/mL HDAC10, 2 mM inhibitor, 1:1000 trypsin:HDAC10, 0.168 M potassium phosphate monobasic, 0.032 M potassium phosphate dibasic, and 20% PEG3350 (v/v)