6O24

Crystal structure of 4498 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	2018-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979341
Spacegroup name	P 1 21 1
Unit cell lengths	62.998, 76.785, 63.657
Unit cell angles	90.00, 98.94, 90.00

Refinement procedure

Resolution	19.968 - 1.400
R-factor	0.1616
Rwork	0.161
R-free	0.18620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Internal Fab 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	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.078	0.625
Rpim	0.033	0.260
Number of reflections	117560	4896
<I/σ(I)>	12.7	1.6
Completeness [%]	99.9	100
Redundancy	6.7	6.8
CC(1/2)	0.998	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	2.5	298	10 % (w/v) 2-methyl-2,4-pentanediol, 0.1 M citric acid pH 2.5