9FQ2

Poliovirus 3C protease in H32 spacegroup

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-12
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	H 3 2
Unit cell lengths	122.734, 122.734, 158.698
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	63.585 - 2.370
Rwork	0.193
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.670
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.585	2.410
High resolution limit [Å]	2.370	2.370
Number of reflections	18923	19611
<I/σ(I)>	19.1
Completeness [%]	99.9
Redundancy	20.6
CC(1/2)	1.000	0.294

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Shotgun ECO screen, well B9 1.6M Sodium citrate tribasic dihydrate