6M48

Crystal structure of pilus adhesin, SpaC from Lactobacillus rhamnosus GG - P21212 form

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	2015-04-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	P 21 21 2
Unit cell lengths	116.181, 128.128, 136.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.260 - 2.500
R-factor	0.19393
Rwork	0.192
R-free	0.23525
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m3y
RMSD bond length	0.011
RMSD bond angle	1.678
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.690	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.068	0.758
Rpim	0.057	0.631
Number of reflections	70856	4503
<I/σ(I)>	14.4	1.9
Completeness [%]	99.8
Redundancy	4.4
CC(1/2)	0.999	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	295	0.25M Sodium sulphate, 0.1M BIS-Tris propane pH 6.5, 15% PEG 3350