6O2B

Crystal structure of 4493 Fab in complex with circumsporozoite protein DND 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 6M
Wavelength(s)	1.033200
Spacegroup name	P 1
Unit cell lengths	83.073, 93.405, 94.164
Unit cell angles	82.74, 76.86, 64.45

Refinement procedure

Resolution	29.493 - 2.100
R-factor	0.1777
Rwork	0.177
R-free	0.20960
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	2.130
High resolution limit [Å]	2.100	2.100
Rmerge	0.069	0.538
Rpim	0.053	0.349
Number of reflections	141733	5870
<I/σ(I)>	9.4	1.7
Completeness [%]	97.7	96.7
Redundancy	3.5	3.3
CC(1/2)	0.997	0.641

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	20 % (w/v) PEG8000, 0.1 M MES pH 6.0, 0.2 M calcium acetate