9GCN

Co-crystal VHH (TPL1158_01_C09) - alpha-cobratoxin (Naja kaouthia)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-12-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976254
Spacegroup name	P 1 21 1
Unit cell lengths	65.370, 86.010, 75.920
Unit cell angles	90.00, 94.88, 90.00

Refinement procedure

Resolution	37.820 - 3.000
R-factor	0.2435
Rwork	0.238
R-free	0.29180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.609
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.820	3.180
High resolution limit [Å]	3.000	3.000
Rmerge	0.280
Rmeas	0.309	0.830
Number of reflections	16807	2704
<I/σ(I)>	6.49	2.11
Completeness [%]	99.5	100
Redundancy	3.6
CC(1/2)	0.982	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	1.5 mM Tris and 6.5 mM NaCl, 17% (w/v) PEG1500. 20% (v/v) glycerol as cryopreservative.