7ZJC

Crystal structure (native) 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	2022-04-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91840
Spacegroup name	P 43 21 2
Unit cell lengths	36.189, 36.189, 129.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.850 - 1.600
R-factor	0.2131
Rwork	0.211
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qdv
RMSD bond length	0.011
RMSD bond angle	1.765
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.640	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.047	0.445
Number of reflections	12185	575
<I/σ(I)>	38.7	7.9
Completeness [%]	100.0	100
Redundancy	23.3
CC(1/2)	1.000	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.1 M MES pH 6.5 2.6 M Ammonium sulfate