7AVJ

Streptococcal High Identity Repeats in Tandem (SHIRT) domain 2 from cell surface protein SGO_0707

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.85
Spacegroup name	P 21 21 21
Unit cell lengths	21.429, 40.766, 82.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.230 - 0.950
R-factor	0.1253
Rwork	0.125
R-free	0.13290
Structure solution method	AB INITIO PHASING
RMSD bond length	0.017
RMSD bond angle	1.960
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	Fragon
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.480	0.960
High resolution limit [Å]	0.950	0.950
Rmerge	0.034
Number of reflections	44546	2604
<I/σ(I)>	24.8	2.29
Completeness [%]	95.2	75.8
Redundancy	6.3
CC(1/2)	0.999	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.1 M HEPES pH 7, 2.4 M Ammonium Sulphate