9S9E

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

Replaces:  9RIT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
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	41.934, 54.826, 143.062
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.200 - 1.310
R-factor	0.2152
Rwork	0.217
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.087
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]	51.200	1.390
High resolution limit [Å]	1.310	1.310
Rmerge	0.069	1.000
Rmeas	0.072	0.990
Rpim	0.020	0.300
Number of reflections	74526	9316
<I/σ(I)>	16.95	2.27
Completeness [%]	92.0	72.3
Redundancy	11.4	10.3
CC(1/2)	0.999	0.698

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.