7QDV

Crystal structure of outer surface protein BBA14 (OrfD) from Borrelia burgdorferi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9796
Spacegroup name	P 43 21 2
Unit cell lengths	36.428, 36.428, 129.933
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.080 - 1.900
R-factor	0.192
Rwork	0.190
R-free	0.24540
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.571
Data reduction software	iMOSFLM
Data scaling software	XDS
Phasing software	SHELXCD
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.430	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.061	0.385
Number of reflections	7534	516
<I/σ(I)>	32.8	9.3
Completeness [%]	99.8
Redundancy	9.3
CC(1/2)	1.000	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.1 M MES pH 6.5 2.1 M Ammonium sulfate