7DQZ

Crystal structure of SARS 3C-like protease in apo form

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	2020-12-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 1
Unit cell lengths	55.484, 60.766, 68.476
Unit cell angles	91.31, 102.59, 108.66

Refinement procedure

Resolution	33.248 - 1.990
R-factor	0.229677213272
Rwork	0.228
R-free	0.25746
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uj1
RMSD bond length	0.007
RMSD bond angle	0.982
Data reduction software	AUTOMAR
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.590	2.100
High resolution limit [Å]	1.990	1.990
Rmerge	0.032	0.252
Number of reflections	52837	15136
<I/σ(I)>	2
Completeness [%]	94.1
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.1M Hepes pH7.5, 10% PEG8000, 8% Ethylene glycol