6CSQ

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with cyclohexylhydroxamate

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	2017-05-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	74.622, 91.961, 96.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.606 - 2.031
R-factor	0.1783
Rwork	0.176
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.601
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.606	96.600	2.140
High resolution limit [Å]	2.031	6.420	2.030
Rmerge		0.077	0.538
Rmeas	0.249	0.085	0.586
Rpim	0.099	0.034	0.229
Total number of observations	271026	8939	40478
Number of reflections	43532	1531	6299
<I/σ(I)>	6.3	9.8	3.6
Completeness [%]	99.8	99.7	100
Redundancy	6.2	5.8	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	40 mM citrate 60 mM BisTris propane 25% PEG 3,350