8TUZ

Fab 857-2 in complex with OspA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-06
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	42.847, 124.501, 144.349
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.885 - 2.186
R-factor	0.1797
Rwork	0.177
R-free	0.23910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.947
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.186	5.970	2.200
Rmerge		0.087	2.102
Rmeas		0.093	2.218
Rpim		0.032	0.701
Number of reflections	40753	2247	2023
<I/σ(I)>	3.9
Completeness [%]	100.0	99.7	100
Redundancy	9.7	8.5	9.5
CC(1/2)	0.400	0.996	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	100 mM hepes pH 7.5, 23% PEG 3350, and 200 mM sodium chloride