3KNZ

Crystal structure of Putative sugar binding protein (NP_459565.1) from Salmonella typhimurium LT2 at 2.50 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	2009-03-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97934,0.97922
Spacegroup name	P 21 21 21
Unit cell lengths	90.028, 173.344, 208.574
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.907 - 2.500
R-factor	0.205
Rwork	0.203
R-free	0.23200
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.148
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.907	29.910	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.123	0.040	0.810
Total number of observations		4506	31422
Number of reflections	113412
<I/σ(I)>	9.6	26.7	1.6
Completeness [%]	99.9	94.4	100
Redundancy	3.8	3.4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	37.1000% 2-ethoxyethanol, 0.0500M calcium acetate, 0.1M Imidazole pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K