9C24

Fab F946 in complex with OspCB

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	2023-10-05
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	77.794, 96.459, 188.671
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.910 - 2.800
R-factor	0.2366
Rwork	0.234
R-free	0.28810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.718
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.124	0.051	0.763
Rmeas	0.130	0.054	0.820
Rpim	0.038	0.015	0.288
Number of reflections	35099	1954	1513
<I/σ(I)>	4.5
Completeness [%]	98.8	99.9	85.9
Redundancy	11.2	12.3	7.3
CC(1/2)	1.000	0.999	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	210 mM calcium chloride and 18% PEG 3350