9RIU

Co-crystal of broadly neutralizing VHH in complex with short neurotoxin 1 (P01426) 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	2025-02-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.72931
Spacegroup name	C 2 2 21
Unit cell lengths	104.150, 104.090, 79.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.290 - 2.500
R-factor	0.3258
Rwork	0.324
R-free	0.36100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.891
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]	23.290	2.650
High resolution limit [Å]	2.500	2.500
Rmerge	0.056	0.498
Rmeas	0.060	0.537
Rpim	0.020	0.200
Number of reflections	28844	4687
<I/σ(I)>	19.86
Completeness [%]	99.9	100
Redundancy	7.15	7.22
CC(1/2)	0.999	0.929

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.2M sodium chloride, 0.1M sodium acetate, pH 4.6, 30% v/v MPD. 25% (v/v) glycerol as crypreservative