6CSR

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

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	74.890, 91.980, 96.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.200 - 1.619
R-factor	0.1725
Rwork	0.170
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.804
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	96.400	96.400	1.650
High resolution limit [Å]	1.619	8.870	1.620
Rmerge	0.189	0.074	0.816
Rmeas	0.207	0.084	0.888
Rpim	0.082	0.037	0.346
Number of reflections	84908	622	4164
<I/σ(I)>	6.7
Completeness [%]	99.5	99.9	99.7
Redundancy	6.2	6.4	6.4
CC(1/2)	0.969	0.743	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M ammonium chloride 20% PEG 3,350