7XQ7

The complex structure of WT-Mpro

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2022-04-28
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9778
Spacegroup name	C 1 2 1
Unit cell lengths	114.259, 53.904, 44.684
Unit cell angles	90.00, 101.09, 90.00

Refinement procedure

Resolution	30.710 - 2.350
R-factor	0.2101
Rwork	0.209
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7w9g
RMSD bond length	0.004
RMSD bond angle	0.740
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.850	2.430
High resolution limit [Å]	2.350	2.350
Number of reflections	11224	1101
<I/σ(I)>	10.6
Completeness [%]	99.8
Redundancy	3.7
CC(1/2)	0.998	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	MESpH6.5, PEG6000