6VU6

Sialic acid binding region of Streptococcus Sanguinis SK1 adhesin bound to 3'sLn

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)	0.9795
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	35.100 - 2.100
R-factor	0.2257
Rwork	0.225
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vs7
RMSD bond length	0.018
RMSD bond angle	1.784
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	55942	4057
<I/σ(I)>	16.264
Completeness [%]	92.4
Redundancy	4.3
CC(1/2)		0.727

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 10mM 3'-sialyl-N-acetyllactosamine, 20% (w/v) PEG 3350, 0.2 M MgSO4, 0.01 M SrCl2. Cryoprotectant: 40% (1:1 ethylene glycol:glycerol) and 60% reservoir solution