7JOM

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-317

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-12
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	75.460, 96.450, 96.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.430 - 1.840
R-factor	0.1697
Rwork	0.168
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eem
RMSD bond length	0.011
RMSD bond angle	0.903
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.200	1.902
High resolution limit [Å]	1.840	1.840
Number of reflections	62134	11945
<I/σ(I)>	9
Completeness [%]	99.3
Redundancy	6.3
CC(1/2)	0.994	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10 mg/mL protein, 0.2 M potassium formate, 20% PEG3350