3MTQ

Crystal structure of a putative phosphoenolpyruvate-dependent sugar phosphotransferase system (PTS) permease (KPN_04802) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.70 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97934,0.97920
Spacegroup name	C 1 2 1
Unit cell lengths	89.753, 58.370, 62.725
Unit cell angles	90.00, 119.37, 90.00

Refinement procedure

Resolution	27.351 - 1.700
R-factor	0.207
Rwork	0.205
R-free	0.24300
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.617
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.351	27.351	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.046	0.025	0.417
Number of reflections	30169	5439	5331
<I/σ(I)>	9.75	24.9	1.9
Completeness [%]	90.6	88.5	88.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.1700M ammonium acetate, 15.0000% Glycerol, 25.5000% polyethylene glycol 4000, 0.1M sodium citrate pH 5.6, Additive: 0.005 M mannose, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K