8WG6

Crystal structure of major pilin PilB from Streptococcus sanguinis - SeMet 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)	0.9803
Spacegroup name	P 21 21 21
Unit cell lengths	37.780, 58.772, 214.108
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.410 - 2.400
R-factor	0.22828
Rwork	0.226
R-free	0.26939
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.973
Data reduction software	XDS (5.8.0258)
Phasing software	CRANK2 (7.0.078)
Refinement software	REFMAC (7.0.0.78)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.677	2.447
High resolution limit [Å]	2.399	2.399
Rpim	0.054	0.265
Number of reflections	19213	961
<I/σ(I)>	15.7	3.5
Completeness [%]	98.2	86.3
Redundancy	46.5	46.8
CC(1/2)	0.997	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.2 M Potassium acetate, 0.1 M Hepes pH 7.0, 5% w/v polyvinyl alcohol.