3D02

Crystal structure of periplasmic sugar-binding protein (YP_001338366.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.30 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	2008-03-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97932,0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	66.240, 76.960, 113.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.630 - 1.300
R-factor	0.158
Rwork	0.157
R-free	0.17200
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.767
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.630	28.630	1.350
High resolution limit [Å]	1.300	2.800	1.300
Rmerge	0.042	0.022	0.405
Number of reflections	70966	13372	12539
<I/σ(I)>	11.43	30.1	2
Completeness [%]	96.5	96.4	84.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	277	1.00M LiCl, 30.00% PEG-6000, 0.1M Citrate pH 4.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K