8P88

X-ray structure of cardiotoxic light chain H3 in complex to neutralizing nanobody C4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-17
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	73.593, 121.953, 88.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.797 - 2.022
R-factor	0.2229
Rwork	0.222
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.605
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.240	2.160
High resolution limit [Å]	2.020	2.020
Number of reflections	21041	21041
<I/σ(I)>	1.7
Completeness [%]	100.0
Redundancy	12.7
CC(1/2)	0.990	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	295.15	0.1 M Sodium citrate, 20% w/v PEG 4000, pH 4.5