6M3Y

Crystal structure of pilus adhesin, SpaC from Lactobacillus rhamnosus GG - open conformation

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	2016-02-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	81.045, 110.023, 128.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.530 - 1.930
R-factor	0.2086
Rwork	0.207
R-free	0.24757
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.311
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.531	2.042
High resolution limit [Å]	1.930	1.930
Rmerge	0.055	0.575
Rpim	0.029	0.352
Number of reflections	52205	2611
<I/σ(I)>	14.3	1.9
Completeness [%]	83.8
Redundancy	4	2.8
CC(1/2)	0.999	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	295	0.1 M sodium sulphate, 0.1 M Bis-Tris propane pH 6.5, 25% (w/v) PEG 3350