6VS7

Sialic acid binding region of Streptococcus Sanguinis SK1 adhesin

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	2017-08-17
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
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	50.000 - 2.000
Rwork	0.211
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6efc
RMSD bond length	0.015
RMSD bond angle	1.248
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (v.1.17.1-3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	70039	7006
<I/σ(I)>	18.12
Completeness [%]	94.3
Redundancy	5.1
CC(1/2)	0.910	0.706

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, Cryoprotectant: 20% (w/v) PEG 3350, 0.2 MM MgSO4, 0.01 M SrCl2