9CSH

Turnip Yellow Mosaic Virus (TYMV) protease (PRO) bound to a ubiquitin variant (UbV3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2024-02-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	72.006, 89.664, 137.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.500 - 2.800
R-factor	0.2339
Rwork	0.229
R-free	0.27780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.580
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.830	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.152	0.597
Rmeas	0.157	0.620
Rpim	0.042	0.166
Number of reflections	11252	1065
<I/σ(I)>	16.6	4.4
Completeness [%]	99.4
Redundancy	13.8
CC(1/2)	0.997	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.5M ammonium sulphate, 100mM Bis-Tris pH 6.5, 100mM NaCl