8R4N

Crystal structure of neutralizing Fab Eq4.Dp46-3A from equine antivenom bound to short chain three finger alpha-neurotoxin from Dendroaspis polylepis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	I 4 2 2
Unit cell lengths	104.623, 104.623, 216.427
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.2061
Rwork	0.206
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.599
Data reduction software	xia2.multiplex
Data scaling software	xia2.multiplex
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.105	1.080
Rmeas	0.106	1.098
Rpim	0.012	0.186
Number of reflections	30760	2869
<I/σ(I)>	30.87	1.5
Completeness [%]	98.7	93.87
Redundancy	20
CC(1/2)	1.000	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293.15	0.1M SPG buffer (pH9.0), 50% PEG1500