9HXO

A01 mAbs bound to cobratoxin at pH 6.0

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 EIGER2 X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	76.947, 82.653, 98.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.570 - 1.490
R-factor	0.2056
Rwork	0.203
R-free	0.24850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.712
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5156)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.570	1.520
High resolution limit [Å]	1.490	1.490
Rmerge	0.171	1.000
Rpim	0.048	0.479
Number of reflections	53424	415
<I/σ(I)>	10.3
Completeness [%]	52.0	7.79
Redundancy	13.3
CC(1/2)	0.999	0.637

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	25% PEG3350, 0.1M Bis-Tris pH 6.0, 0.3 M Ammonium Sulphate