9QAA

Crystal structure of Borrelia burgdorferi BB0238-BB0323 complex (BB0238 residues 118-256; BB0323 residues 26-210)

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	2020-09-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97626
Spacegroup name	P 65
Unit cell lengths	129.746, 129.746, 41.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.960 - 3.500
R-factor	0.23695
Rwork	0.234
R-free	0.29792
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.455
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]	64.960	3.830
High resolution limit [Å]	3.500	3.500
Rmerge	0.079	0.384
Number of reflections	5206	1223
<I/σ(I)>	16.3	6.6
Completeness [%]	100.0
Redundancy	10.9
CC(1/2)	0.988	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	24% PEG 1500 20% glycerol