7E6R

Crystal structure of HCoV-NL63 3C-like protease,pH5.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-01-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	63.136, 82.902, 63.902
Unit cell angles	90.00, 108.71, 90.00

Refinement procedure

Resolution	60.520 - 1.900
R-factor	0.188700271271
Rwork	0.187
R-free	0.22244
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7e6l
RMSD bond length	0.007
RMSD bond angle	0.880
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.520	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.075
Number of reflections	49375	3558
<I/σ(I)>	16.5
Completeness [%]	99.6
Redundancy	5.8
CC(1/2)		0.398

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Sodium citrate, pH5.6, 2% Tacsimate(pH5.0), 16% PEG3350