8F5N

Identification of an Immunodominant region on a Group A Streptococcus T-antigen Reveals Temperature-Dependent Motion in Pili

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	110
Detector technology	CCD
Collection date	2017-08-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95372
Spacegroup name	I 1 2 1
Unit cell lengths	126.362, 41.112, 171.600
Unit cell angles	90.00, 110.42, 90.00

Refinement procedure

Resolution	41.900 - 1.900
R-factor	0.20377
Rwork	0.202
R-free	0.24358
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6n0a
RMSD bond length	0.009
RMSD bond angle	1.621
Data reduction software	XDS (VERSION Jun 1, 2017)
Data scaling software	Aimless (1.17.29)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.870	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.077	1.425
Rmeas	0.084
Rpim	0.032	0.583
Number of reflections	65913	4228
<I/σ(I)>	11.8	1.2
Completeness [%]	99.9	99.8
Redundancy	6.8	6.9
CC(1/2)	0.999	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	10% (w/v) PEG 8000, 20% (v/v) ethylene glycol, 0.3 Mdiethyleneglycol, 0.3 Mtriethyleneglycol, 0.3 M tetraethyleneglycol, 0.3 Mpentaethyleneglycol and 0.1 M MOPS/HEPES-Na pH 7.5