9EFC

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-588

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	2021-10-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	75.080, 92.110, 96.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.610 - 1.260
Rwork	0.188
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]	66.610	1.348
High resolution limit [Å]	1.260	1.260
Rmerge	0.097
Number of reflections	172572	6051
<I/σ(I)>	8.7
Completeness [%]	95.7
Redundancy	6.4
CC(1/2)	0.999	0.283

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	25% PEG 400, 0.2M MgCl2, 0.1M Na Caco. 5.5