6N0A

Structure of the major pilin protein (T-18.1) from Streptococcus pyogenes serotype MGAS8232

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	110
Detector technology	CCD
Collection date	2015-12-12
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95468
Spacegroup name	P 1
Unit cell lengths	40.588, 50.683, 67.924
Unit cell angles	103.55, 93.53, 90.03

Refinement procedure

Resolution	40.540 - 1.750
R-factor	0.2353
Rwork	0.233
R-free	0.27530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bbt
RMSD bond length	0.009
RMSD bond angle	1.301
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.830	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.091	0.654
Rmeas	0.130	0.952
Rpim	0.067	0.496
Number of reflections	51303	2572
<I/σ(I)>	9.4	1.5
Completeness [%]	96.7	89.1
Redundancy	3.7	3.6
CC(1/2)	0.995	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	10% w/v PEG 20000, 20% v/v PEG MME 550, 0.02 M 1,6-Hexanediol, 0.02 M 1-Butanol, 0.02 M 1,2-Propanediol, 0.02 M 2-Propanol, 0.02 M 1,4-Butanediol, 0.02 M 1,3-Propanediol, 0.1 M BICINE/Tris base pH 8.5