9CFD

Fab 8C1 in complex with OspCA peptide P15 (residues 132-146)

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	2024-05-31
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979
Spacegroup name	P 65
Unit cell lengths	106.440, 106.440, 71.344
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.090 - 1.640
R-factor	0.162
Rwork	0.161
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.410
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	1.670
High resolution limit [Å]	1.640	4.450	1.640
Rmerge	0.089	0.049	1.041
Rmeas	0.092	0.050	1.084
Rpim	0.021	0.011	0.296
Total number of observations	1088903
Number of reflections	56365	2914	2570
<I/σ(I)>	6.3
Completeness [%]	99.5	99.8	91.1
Redundancy	19.3	20	11.7
CC(1/2)	0.999	0.999	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	100 mM Tris- pH 7.0, 200 mM Li2SO4, and 2.0 M Ammonium sulfate