6RJX

Crystal structure of the N-terminal domain of Lyme disease agent Borrelia burgdorferi major virulence factor BB0323 (native data)

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	2018-05-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.91840
Spacegroup name	P 21 21 21
Unit cell lengths	41.438, 47.085, 87.993
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.000 - 2.350
R-factor	0.2303
Rwork	0.229
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rjw
RMSD bond length	0.007
RMSD bond angle	1.519
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.000	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.088	0.213
Number of reflections	7543	729
<I/σ(I)>	8.2	4.2
Completeness [%]	99.2	99.9
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.2 M KNO3 18% PEG 3350