9GKY

Crystal Structure of Histone deacetylase (HdaH) from Vibrio cholerae in complex with decanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-09
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	0.918400
Spacegroup name	P 1 21 1
Unit cell lengths	51.110, 51.150, 108.820
Unit cell angles	90.00, 102.22, 90.00

Refinement procedure

Resolution	46.139 - 1.130
Rwork	0.158
R-free	0.17880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.962
Data reduction software	XDS (Feb 5, 2021 BUILT=20210205)
Data scaling software	XDS (Feb 5, 2021 BUILT=20210205)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.200
High resolution limit [Å]	1.130	1.130
Rmeas	0.083	1.997
Number of reflections	194694	29780
<I/σ(I)>	8.16	0.65
Completeness [%]	94.7	90
Redundancy	3.45	3.25
CC(1/2)	0.999	0.301

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	1 M Na/K tartrate, 0.1 M imidazole pH 8 0.2 M NaCl