8WXD

Crystal Structure of shaft pilin PilA from Streptococcus sanguinis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8856
Spacegroup name	P 2 21 21
Unit cell lengths	60.593, 89.949, 216.408
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.350 - 1.995
R-factor	0.21184
Rwork	0.209
R-free	0.25936
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.726
Data reduction software	XDS (5.8.0258)
Data scaling software	Aimless
Phasing software	PHASER (7.0.0.78)
Refinement software	REFMAC (7.0.0.78)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.350	2.159
High resolution limit [Å]	1.995	1.995
Rmerge	0.094	0.543
Rpim	0.054	0.379
Number of reflections	36257	5501
<I/σ(I)>	7.8	2.8
Completeness [%]	87.8	90.5
Redundancy	3.8
CC(1/2)	0.989	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M HEPES pH 7.5, 0.01 M Cadmium Sulphate, 1.0 M Sodium acetate tri-hydrate.