5EQ3

Crystal structure of the SrpA adhesin from Streptococcus sanguinis with a sialyl galactose disaccharide bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	174.620, 47.005, 64.026
Unit cell angles	90.00, 102.15, 90.00

Refinement procedure

Resolution	28.229 - 2.000
R-factor	0.2001
Rwork	0.198
R-free	0.24290
RMSD bond length	0.026
RMSD bond angle	0.979
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.131	0.064	0.500
Rmeas	0.142	0.069	0.551
Rpim	0.054	0.026	0.224
Total number of observations	225197
Number of reflections	32930
<I/σ(I)>	7.7
Completeness [%]	94.7	99.8	78
Redundancy	6.8	6.6	5.3
CC(1/2)		0.996	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	100 mM Na cacodylate, 0.2 M Ca(CH3CO2)2, 18% PEG 8000. SrpA protein was concentrated to 16 mg/mL in 20 mM Tris pH 7.2, 10 mM disaccharide