6JCH

Crystal structure of SpaE basal pilin from Lactobacillus rhamnosus GG - Orthorhombic form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97947
Spacegroup name	P 21 21 21
Unit cell lengths	41.382, 63.523, 130.245
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.736 - 1.536
R-factor	0.1816
Rwork	0.180
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jbv
RMSD bond length	0.006
RMSD bond angle	0.847
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.094	1.562
High resolution limit [Å]	1.536	1.536
Rmerge	0.046	0.501
Rmeas	0.049	0.568
Rpim	0.019	0.261
Number of reflections	52018	2453
<I/σ(I)>	21.3	2.3
Completeness [%]	99.7	96.7
Redundancy	6.8	4.4
CC(1/2)	0.999	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	0.1 M bis-tris propane pH 8.5, 0.25 M sodium formate, 25% (w/v) PEG 3350, 0.2 M sodium iodide, 0.02 M L-proline