6VT2

Sialic acid binding region of Streptococcus sanguinis SK1 adhesin bound to sTa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-05
Detector	RAYONIX MX-300
Wavelength(s)	0.97946
Spacegroup name	P 21 21 2
Unit cell lengths	82.213, 269.859, 47.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.660 - 1.520
R-factor	0.1778
Rwork	0.177
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vs7
RMSD bond length	0.022
RMSD bond angle	1.635
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.580
High resolution limit [Å]	1.520	1.550
Number of reflections	148960	9822
<I/σ(I)>	26.6
Completeness [%]	93.1	61
Redundancy	4.3	2.8
CC(1/2)		0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	298	Protein concentration: 72 mg/mL, Protein buffer: 150 mM NaCl, 20 mM tris pH 7.6, Reservoir solution: 20% (w/v) PEG 3350, 0.2 M MgSO4, 0.01 M SrCl2. Crystals were soaked with 10 mM sTa and cryoprotected with 40% (1:1 ethylene glycol: glycerol) and 60% reservoir solution