6O25

Crystal structure of 3945 Fab in complex with circumsporozoite protein NANP3 and anti-Kappa VHH domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979360
Spacegroup name	P 21 21 2
Unit cell lengths	156.249, 230.737, 48.249
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.733 - 2.900
R-factor	0.218
Rwork	0.215
R-free	0.26840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Inhouse model
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.242	0.816
Rpim	0.065	0.221
Number of reflections	39925	1998
<I/σ(I)>	10	1.7
Completeness [%]	99.9	100
Redundancy	14.8	14.7
CC(1/2)	0.999	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.2 M di-sodium hydrogen phosphate, 20 % (w/v) PEG 3350