7E6N

Crystal structure of HCoV-NL63 3C-like protease,pH5.2

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	63.350, 83.211, 64.052
Unit cell angles	90.00, 108.65, 90.00

Refinement procedure

Resolution	60.689 - 1.841
R-factor	0.185677482899
Rwork	0.184
R-free	0.21745
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tlo
RMSD bond length	0.007
RMSD bond angle	0.902
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]	60.690	1.890
High resolution limit [Å]	1.840	1.840
Rmerge	0.046	0.162
Number of reflections	54115	3745
<I/σ(I)>	20.2
Completeness [%]	99.2
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M sodium citrate tribasic dihydrate, 16% w/v Polyethylene glycol 3350, pH5.2