3CNY

Crystal structure of a putative inositol catabolism protein iole (iole, lp_3607) from lactobacillus plantarum wcfs1 at 1.85 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	2008-02-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97908
Spacegroup name	P 21 21 21
Unit cell lengths	51.235, 51.553, 246.908
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.273 - 1.850
R-factor	0.167
Rwork	0.165
R-free	0.21000
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.398
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.273	29.273	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.089	0.036	0.740
Number of reflections	57200	11808	10636
<I/σ(I)>	12	29.6	2.3
Completeness [%]	99.4	99	95.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	NANODROP, 0.2M (NH4)2H Citrate, 20.0% PEG 3350, No Buffer pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K