5BOA

Crystal Structure of the Meningitis Pathogen Streptococcus suis adhesion Fhb bound to the disaccharide receptor Gb2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	126.488, 136.574, 75.551
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.495 - 2.708
R-factor	0.1942
Rwork	0.191
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bob
RMSD bond length	0.008
RMSD bond angle	1.191
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.198	0.055	0.895
Rmeas	0.203	0.057	0.916
Rpim	0.044	0.013	0.195
Total number of observations	782182
Number of reflections	36259
<I/σ(I)>	5.6
Completeness [%]	100.0	100	100
Redundancy	21.6	20.4	21.7
CC(1/2)		0.994	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	PEG 3350, NH4Ac