6JBV

Crystal structure of SpaE basal pilin from Lactobacillus rhamnosus GG - Selenium derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97868
Spacegroup name	P 21 21 21
Unit cell lengths	41.779, 63.936, 131.112
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.556 - 1.712
R-factor	0.19571
Rwork	0.194
R-free	0.22312
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.971
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.556	1.741
High resolution limit [Å]	1.712	1.712
Rmerge	0.080	0.884
Rmeas	0.086	0.951
Rpim	0.032	0.348
Number of reflections	38761	1960
<I/σ(I)>	19.2	2.3
Completeness [%]	100.0	100
Redundancy	7.2	7.3
CC(1/2)	0.997	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	0.1 M bis-tris propane pH 8.5, 0.3 M sodium formate, 30% (w/v) PEG 3350, 1 M sodium iodide, 0.1 M L-proline