8S72

Crystal structure of neutralizing Fab Eq4.Dp46-3D from equine antivenom bound to a consensus short chain three finger alpha-neurotoxin.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-07
Detector	DECTRIS EIGER2 X CdTe 9M
Wavelength(s)	0.6199
Spacegroup name	P 64 2 2
Unit cell lengths	294.846, 294.846, 99.525
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.600 - 2.780
R-factor	0.2283
Rwork	0.228
R-free	0.24950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.947
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.880	2.830
High resolution limit [Å]	2.780	2.830	2.780
Rmerge	0.541
Rmeas	0.544
Rpim	0.060	0.395	0.458
Number of reflections	64005	3108	2970
<I/σ(I)>	9.1	1.1	0.9
Completeness [%]	99.7		54.94
Redundancy	78.5
CC(1/2)	0.995	0.500	0.327

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	0.1M Tris HCl (pH 8,0) 60% MPD Cryoprotected with 10% glycerol