9GN1

Crystal structure of inactive Deacetylase (HdaH) H144A from Klebsiella pneumoniae subsp. ozaenae

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	2019-03-15
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	0.918400
Spacegroup name	I 2 3
Unit cell lengths	146.117, 146.117, 146.117
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.249 - 2.350
Rwork	0.153
R-free	0.20420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.304
Data reduction software	XDS (Jan 26, 2018)
Data scaling software	XDS (Jan 26, 2018)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.540	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.116	0.955
Rmeas	0.119	0.978
Rpim	0.027	0.210
Number of reflections	22209	2147
<I/σ(I)>	20.8	3.2
Completeness [%]	100.0	100
Redundancy	20	16.05
CC(1/2)	0.999	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	12% (w/v) PEG 8000, 10% (v/v) glycerol and 0.5M KCl