8KB2

Crystal Structure of M- and C-Domains of the shaft pilin LrpA from Ligilactobacillus ruminis - iodide derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.54980
Spacegroup name	P 21 21 21
Unit cell lengths	41.903, 50.898, 125.623
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.580 - 1.910
R-factor	0.1811
Rwork	0.179
R-free	0.21149
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.433
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.580	1.945
High resolution limit [Å]	1.905	1.905
Rmerge	0.129	0.970
Rmeas	0.130
Rpim	0.018	0.141
Number of reflections	21167	1058
<I/σ(I)>	24.2	4.8
Completeness [%]	97.6	85.5
Redundancy	48.4	45.5
CC(1/2)	0.999	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	0.1 M sodium acetate pH 4.6, 25% PEG 4000