5V1Q

Crystal structure of Streptococcus suis SuiB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 2
Unit cell lengths	115.230, 84.424, 110.044
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.509 - 2.500
R-factor	0.2184
Rwork	0.217
R-free	0.25680
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.659
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.510	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.096	1.290
Number of reflections	37704
<I/σ(I)>	17.7	1.9
Completeness [%]	99.3	94.4
Redundancy	12.9	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	A solution containing 18.9 mg/mL His6-tagged SuiB in storage buffer [100 mM HEPES, pH 7.5, 300 mM KCl, 5 mM DTT, 10% (v/v) glycerol] was mixed 1:1 with precipitant solution. Small clusters of crystals were formed within 24 hrs. A seed stock was then produced by combining a single sitting well with 10 uL of reservoir solution and 10 uL of enzyme at 8 mg/mL, followed by brief vortexing. A resulting crystal was harvested 2 days following seeding. The precipitant solution was 100 mM MES, pH 6.0, 15% (w/v) PEG 3350.