6O28

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.033200
Spacegroup name	P 21 21 21
Unit cell lengths	76.958, 94.676, 143.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.237 - 1.930
R-factor	0.1887
Rwork	0.188
R-free	0.21850
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	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.187	0.817
Rpim	0.054	0.239
Number of reflections	79786	3549
<I/σ(I)>	9.4	1.6
Completeness [%]	99.9	100
Redundancy	13	12.8
CC(1/2)	0.997	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M HEPES pH 7.0, 1 M lithium chloride, 20 % (w/v) PEG6000