8P89

X-ray structure of cardiotoxic light chain H3 in complex to neutralizing nanobody B5

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	2022-06-14
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	145.215, 145.215, 245.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	124.945 - 3.187
R-factor	0.2313
Rwork	0.229
R-free	0.27640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.743
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	124.945	3.550
High resolution limit [Å]	3.180	3.180
Number of reflections	14056	10713
<I/σ(I)>	6.7
Completeness [%]	99.6
Redundancy	11.5
CC(1/2)	0.990	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	1.5 M Ammonium sulfate, 0.1M Tris-HCl pH 8.0