6LNY

The co-crystal structure of Severe Acute Respiratory Syndrome Coronavirus 3C-Like Protease with aldehyde M15

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-01-02
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	109.049, 80.670, 53.407
Unit cell angles	90.00, 104.49, 90.00

Refinement procedure

Resolution	40.335 - 2.245
R-factor	0.2087
Rwork	0.204
R-free	0.25270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uj1
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.245	2.245
Rmerge	0.090	0.318
Number of reflections	21495	930
<I/σ(I)>	21.68
Completeness [%]	98.7
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289	PEG 8000, 100mM MES buffer