9GN7

Crystal Structure of Deacetylase (HdaH) from Klebsiella pneumoniae subsp. ozaenae in Complex with the inhibitor TSA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	I 2 3
Unit cell lengths	146.570, 146.570, 146.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.393 - 2.180
Rwork	0.148
R-free	0.18620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.236
Data reduction software	XDS (Mar 15, 2019 BUILT=20190315)
Data scaling software	XDS (Mar 15, 2019 BUILT=20190315)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	2.250
High resolution limit [Å]	2.180	2.180
Number of reflections	27454	2367
<I/σ(I)>	10.8	2.5
Completeness [%]	100.0	99.9
Redundancy	1.7
CC(1/2)	0.997	0.832

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