5YU5

Crystal structure of shaft pilin spaD from Lactobacillus rhamnosus GG

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)	0.953720
Spacegroup name	P 21 21 21
Unit cell lengths	54.412, 76.264, 400.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	200.000 - 2.270
R-factor	0.20348
Rwork	0.202
R-free	0.23616
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.203
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	autoSHARP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	2.536
High resolution limit [Å]	2.270	2.273
Rmerge	0.046	0.473
Rmeas	0.051	0.533
Rpim	0.021	0.236
Number of reflections	39269	1964
<I/σ(I)>	18.1	2.7
Completeness [%]	87.1	48.5
Redundancy	5.9	4.5
CC(1/2)	0.999	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M MES pH 6.5, 30% w/v PEG 400