7E6L

Crystal structure of HCoV-NL63 3C-like protease,pH5.0

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	63.070, 82.400, 63.920
Unit cell angles	90.00, 108.47, 90.00

Refinement procedure

Resolution	59.856 - 1.780
R-factor	0.182118735201
Rwork	0.181
R-free	0.20161
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tlo
RMSD bond length	0.006
RMSD bond angle	0.831
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]	60.630	1.830
High resolution limit [Å]	1.780	1.780
Rmerge	0.046	0.173
Number of reflections	59245	4319
<I/σ(I)>	19.9
Completeness [%]	99.7
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M sodium citrate tribasic dihydrate, 16% w/v Polyethylene glycol 3350, pH5.0