8SXP

Crystal structure of long neurotoxin from the venom of the king cobra (3FTx-L15) in complex with Fab of broadly neutralizing antibody 95Mat5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2023-03-23
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	135.860, 42.443, 103.356
Unit cell angles	90.00, 103.70, 90.00

Refinement procedure

Resolution	45.490 - 2.900
R-factor	0.2638
Rwork	0.261
R-free	0.32000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.843
Data reduction software	HKL-2000 (v721.1)
Data scaling software	HKL-2000 (v721.1)
Phasing software	PHENIX (1.19.2-4158-000)
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.950
High resolution limit [Å]	2.900	2.900
Rmerge		0.424
Rpim		0.354
Number of reflections	10741	98
<I/σ(I)>	17.81
Completeness [%]	82.1
Redundancy	2.7
CC(1/2)	0.990	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.75	293.15	100mM sodium citrate pH 3.75, and 26% PEG6000