9EFR

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-600

This is a non-PDB format compatible entry.

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	2021-12-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	75.140, 92.600, 96.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.280 - 1.240
Rwork	0.198
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.280	1.260
High resolution limit [Å]	1.240	1.240
Rmerge	0.055	1.453
Rmeas	0.060	1.725
Rpim	0.023	0.909
Number of reflections	157108	2656
<I/σ(I)>	14.2
Completeness [%]	82.6
Redundancy	6.2	3.3
CC(1/2)	0.999	0.308

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	15% PEG 3350, 0.2M magnesium formate dihydrate