3KHI

Crystal structure of a Putative Metal-dependent Hydrolase (YP_001336084.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.95 A resolution

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	CCD
Collection date	2009-01-17
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 41 21 2
Unit cell lengths	131.190, 131.190, 37.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.374 - 1.950
R-factor	0.184
Rwork	0.183
R-free	0.21300
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.276
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.374	46.374	2.040
High resolution limit [Å]	1.950	4.230	1.950
Rmerge	0.071	0.047	0.977
Number of reflections	24283	2577	2992
<I/σ(I)>	14.52	32.9	2.1
Completeness [%]	99.8	99.4	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	10.0000% polyethylene glycol 6000, 1.0000M lithium chloride, 0.1M Bicine pH 9.0, 0.001 M zinc chloride, 0.001 M Leucine-Chloromethyl ketone, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K