9C9K

Anti-OspA Fab 319-33

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	121.747, 121.747, 67.389
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.172 - 1.601
R-factor	0.173
Rwork	0.172
R-free	0.19950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.074
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	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge		0.059	1.656
Rmeas		0.062	1.739
Rpim		0.021	0.527
Number of reflections	66957	3621	3287
<I/σ(I)>	4.8
Completeness [%]	99.8	99.3	99.6
Redundancy	9.4	8.4	10.4
CC(1/2)	0.850	0.997	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	200 mM Zinc Acetate, 100 mM Imidazole pH 8.0, 2.5 M NaCl