6O29

Crystal structure of 4493 Fab in complex with circumsporozoite protein NPDP and anti-kappa VHH domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033167
Spacegroup name	P 21 21 21
Unit cell lengths	54.537, 79.761, 281.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.589 - 2.400
R-factor	0.2024
Rwork	0.201
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In house 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]	30.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.151	0.830
Rpim	0.043	0.230
Number of reflections	49310	2353
<I/σ(I)>	12	1.5
Completeness [%]	99.9	100
Redundancy	14	14
CC(1/2)	0.997	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20 % (w/v) PEG3350, 0.2 M sodium nitrate