5IIY

SrpA adhesin in complex with the Neu5Ac-galactoside disaccharide

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]	93
Detector technology	CCD
Collection date	2015-12-18
Detector	MARRESEARCH
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	174.522, 46.769, 64.761
Unit cell angles	90.00, 102.72, 90.00

Refinement procedure

Resolution	45.098 - 1.888
R-factor	0.1779
Rwork	0.177
R-free	0.20100
RMSD bond length	0.018
RMSD bond angle	0.893
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.072	0.036	0.823
<I/σ(I)>	10.6
Completeness [%]	98.8	99.6	95.6
Redundancy	7.2	7.4	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M CalciumAcetate 0.1 M Na Cacodylate, pH 6.5 18% PEG 8000