9HUB

D11 mAbs bound to alpha-Bungarotoxin at pH 7.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-05
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	79.051, 84.735, 102.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.380 - 1.330
R-factor	0.1608
Rwork	0.159
R-free	0.19460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.996
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]	22.380	1.340
High resolution limit [Å]	1.330	1.330
Rmerge	0.123	1.000
Rpim	0.035	0.341
Number of reflections	158613	5216
<I/σ(I)>	8.44
Completeness [%]	99.6
Redundancy	13.3
CC(1/2)	0.998	0.341

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.1 M HEPES pH 7.5, 70% (v/v) MPD)