8DFH

Crystal structure of non-neutralizing / interfering human monoclonal antibody 42C3 Fab in complex with MSP1-19

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-06
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	72.390, 75.720, 117.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.830 - 2.300
R-factor	0.2105
Rwork	0.209
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 1OB1 & 6UMX
RMSD bond length	0.002
RMSD bond angle	0.567
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.830	2.360
High resolution limit [Å]	2.300	2.300
Number of reflections	28468	1994
<I/σ(I)>	10.99
Completeness [%]	96.5	93.4
Redundancy	3.68
CC(1/2)	0.996	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.1 M Sodium Cacodylate, pH 6.5, 5 % (v/v) PEG 8000, 40% (v/v) 2-Methyl-2,4-Pentanediol