9HUO

A01 mAbs bound to cobratoxin at pH 5.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	76.870, 83.150, 98.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.580 - 1.600
R-factor	0.1853
Rwork	0.183
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.077
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5156)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.580	1.620
High resolution limit [Å]	1.600	1.600
Rmerge	0.067	0.888
Rmeas	0.075	1.000
Rpim	0.033	0.543
Number of reflections	83281	2739
<I/σ(I)>	5	3.2
Completeness [%]	99.4
Redundancy	5
CC(1/2)	0.999	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	293	25% PEG3350, 0.1M Bis-Tris pH5.5, 0.25 M AmS