9RIT

Co-crystal of broadly neutralizing biparatopic VHH in complex with cardiotoxin (P01468) Naja pallida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976200
Spacegroup name	P 2 2 21
Unit cell lengths	41.943, 54.905, 143.014
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.260 - 1.600
R-factor	0.2238
Rwork	0.222
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.128
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.260	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.130	0.900
Rmeas	0.140	0.980
Rpim	0.050	0.390
Number of reflections	42821	6553
<I/σ(I)>	9.49	2.47
Completeness [%]	95.9	89.6
Redundancy	7.9	6.3
CC(1/2)	0.996	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.2M Ammonium acetate, 0.1M Sodium acetate, pH 4.6, 30% w/v PEG 4000. 25% (v/v) glycerol as cryoprotection.