9M9N

Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Mutant del23.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2024-03-15
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97933
Spacegroup name	C 1 2 1
Unit cell lengths	114.089, 53.983, 44.456
Unit cell angles	90.00, 101.04, 90.00

Refinement procedure

Resolution	33.910 - 1.750
R-factor	0.1963
Rwork	0.193
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nf5
RMSD bond length	0.005
RMSD bond angle	0.857
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.910	1.810
High resolution limit [Å]	1.750	1.750
Number of reflections	26882	2159
<I/σ(I)>	21.3
Completeness [%]	96.2
Redundancy	4.6
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M HEPES (pH 7.5), 8% (v/v) ethylene glycol 10% (v/v) PEG 8000