8VO2

Pathogenesis related 10-10 C59S mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	48.870, 71.087, 91.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.880 - 1.500
R-factor	0.2056
Rwork	0.203
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.857
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2-3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.880	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.046
Number of reflections	25883	1804
<I/σ(I)>	25.32	1.76
Completeness [%]	99.2
Redundancy	10.3
CC(1/2)	0.998	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	18% polyethylene glycol 3350, 0.1M Bis-Tris pH 5.5, 0.2M sodium chloride