9X2O

X-ray structure of antiviral protein from Mirabilis jalapa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	273
Detector technology	PIXEL
Collection date	2024-12-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	214.312, 60.645, 79.254
Unit cell angles	90.00, 109.02, 90.00

Refinement procedure

Resolution	43.970 - 2.100
R-factor	0.1928
Rwork	0.190
R-free	0.24570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.816
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.21.2)
Refinement software	PHENIX (1.21.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.970	2.220
High resolution limit [Å]	2.100	2.150
Rmerge	0.277	1.052
Rmeas	0.300	1.141
Rpim	0.115	0.436
Number of reflections	56406	4549
<I/σ(I)>	7.4	2
Completeness [%]	99.9
Redundancy	3.4
CC(1/2)	0.984	0.529

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Ammonium sulfate, 30% w/v Polyethylene glycol 8000