5F44

Crystal structure of shaft pilin spaA 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	2012-07-20
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	C 1 2 1
Unit cell lengths	227.970, 63.200, 104.270
Unit cell angles	90.00, 95.14, 90.00

Refinement procedure

Resolution	31.156 - 1.904
R-factor	0.1764
Rwork	0.174
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3phs
RMSD bond length	0.008
RMSD bond angle	1.125
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.160	1.972
High resolution limit [Å]	1.904	1.904
Rmerge	0.088	0.440
Number of reflections	105419
<I/σ(I)>	17.91	3.14
Completeness [%]	90.0	63
Redundancy	6.5	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.35 M trisodium citrate, 14% PEG 3350