5J4M

Crystal structure of shaft pilin SpaA from Lactobacillus rhamnosus GG - E269A/D295N double mutant

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)	0.97876
Spacegroup name	C 1 2 1
Unit cell lengths	229.700, 64.394, 105.049
Unit cell angles	90.00, 95.44, 90.00

Refinement procedure

Resolution	104.580 - 1.990
R-factor	0.20631
Rwork	0.205
R-free	0.22817
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f44
RMSD bond length	0.014
RMSD bond angle	1.488
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.580	2.100
High resolution limit [Å]	1.990	1.990
Rmerge	0.078	0.734
Number of reflections	103663
<I/σ(I)>	12.6	2.4
Completeness [%]	99.3	99
Redundancy	4.1	4.1
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	0.1M Sodium/Potassium tartrate, 100mM Tris buffer, 200mM Lithium sulphate