6VLN

Crystal structure of 4498 Fab in complex with circumsporozoite protein DND3 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	2019-11-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033190
Spacegroup name	P 1 21 1
Unit cell lengths	62.204, 76.481, 63.693
Unit cell angles	90.00, 98.76, 90.00

Refinement procedure

Resolution	38.240 - 1.630
R-factor	0.2101
Rwork	0.209
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d01
RMSD bond length	0.013
RMSD bond angle	1.234
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.650
High resolution limit [Å]	1.630	1.630
Number of reflections	73553	2626
<I/σ(I)>	14.6
Completeness [%]	99.9
Redundancy	6.7
CC(1/2)	0.990	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M phosphate-citrate pH 4.2, 20% (w/v) polyethylene glycol 8000, 0.2 M sodium chloride