8G1L

Lectin domain of Aap (Staphylococcus epidermidis Accumulation Associated Protein)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	183
Detector technology	PIXEL
Collection date	2018-11-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97780
Spacegroup name	P 21 21 21
Unit cell lengths	35.664, 68.573, 109.272
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.766 - 1.060
R-factor	0.1167
Rwork	0.117
R-free	0.12630
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.023
Data reduction software	HKL-3000
Data scaling software	pointless
Phasing software	PHENIX
Refinement software	PHENIX (1.14-3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.766	1.098
High resolution limit [Å]	1.060	1.060
Rmerge	0.091	0.554
Rmeas	0.097	0.596
Rpim	0.034	0.216
Number of reflections	121879	11899
<I/σ(I)>	14.88	4.39
Completeness [%]	99.7	98.48
Redundancy	8.2	7.5
CC(1/2)	0.997	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	100 mM Na Acetate (pH 4.5), 22.5% BCS PEG SMEAR High (Molecular Dimensions, CalibreScientific), pentanediol and 100 mM BisTris (pH 6.5)