5WGM

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ACY-1083

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	2017-02-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 2 2 21
Unit cell lengths	97.813, 174.304, 149.064
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.953 - 1.750
R-factor	0.1601
Rwork	0.159
R-free	0.18520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eem
RMSD bond length	0.012
RMSD bond angle	1.119
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_2776: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.953
High resolution limit [Å]	1.750	1.750
Number of reflections	127773
<I/σ(I)>	8
Completeness [%]	99.9
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	magnesium acetate, sodium cacodylate, PEG8000