6LNQ

The co-crystal structure of SARS-CoV 3C Like Protease with aldehyde inhibitor M7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-12-31
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	109.068, 80.529, 53.354
Unit cell angles	90.00, 104.36, 90.00

Refinement procedure

Resolution	43.550 - 2.244
R-factor	0.2013
Rwork	0.199
R-free	0.23910
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]	2.244	2.244
Rmerge	0.122	0.539
Number of reflections	21337	1033
<I/σ(I)>	16.88
Completeness [%]	99.9
Redundancy	6.5

Crystallization Conditions

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