8YUF

Crystal structure of HEPN (Q64A) toxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-18
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.02
Spacegroup name	P 21 21 21
Unit cell lengths	43.774, 43.772, 163.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.280 - 1.590
R-factor	0.1893
Rwork	0.188
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	0.843
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.770	1.690
High resolution limit [Å]	1.590	1.590
Number of reflections	67303	8590
<I/σ(I)>	11.8
Completeness [%]	83.0
Redundancy	4.06
CC(1/2)	0.997	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Lithium acetate dehydrate, 20% PEG 3350