7E6K

Viral protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	C 1 2 1
Unit cell lengths	99.045, 80.681, 52.002
Unit cell angles	90.00, 114.89, 90.00

Refinement procedure

Resolution	24.720 - 1.600
R-factor	0.1717
Rwork	0.170
R-free	0.20180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lu7
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.720	24.720	1.640
High resolution limit [Å]	1.600	7.150	1.600
Rmerge	0.052	0.031	1.026
Rmeas	0.057	0.034	1.114
Total number of observations	330594
Number of reflections	49021	569	3583
<I/σ(I)>	18.1	43.06	2.39
Completeness [%]	99.7	96.9	99.4
Redundancy	6.744	6.016	6.656
CC(1/2)	0.999	0.999	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	293	0.03M Sodium nitrate, 0.03M Sodium phosphate dibasic, 0.03M Ammonium sulfate, 0.1M Sodium HEPES (PH7.5), 0.1M MOPS (PH7.5), 20% PEG 500MME, 10% PEG 20000, protein concentration 5mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 293K