6QO1

Crystal structure of Borrelia (Borreliella) burgdorferi outer surface protein BBA69

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979724
Spacegroup name	P 1 21 1
Unit cell lengths	67.262, 96.086, 67.348
Unit cell angles	90.00, 105.83, 90.00

Refinement procedure

Resolution	40.620 - 2.250
R-factor	0.1766
Rwork	0.173
R-free	0.24880
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.773
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXCD
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.040	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.045	0.199
Number of reflections	39086	3574
<I/σ(I)>	15.5	5.1
Completeness [%]	99.8	100
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1M (NH4)2SO4 0.1M Tris pH 8.0 25% PEG 3350
1	VAPOR DIFFUSION, SITTING DROP		294	0.1M (NH4)2SO4 0.1M Tris pH 8.0 25% PEG 3350