6T4E

Native C3-like protease from Southampton virus complexed with FMOPL000287a.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92819
Spacegroup name	C 1 2 1
Unit cell lengths	62.910, 89.560, 61.370
Unit cell angles	90.00, 96.64, 90.00

Refinement procedure

Resolution	25.620 - 1.660
R-factor	0.1408
Rwork	0.137
R-free	0.21130
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.894
Data reduction software	xia2
Data scaling software	Aimless (0.5.27)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.620	25.620	1.700
High resolution limit [Å]	1.660	7.420	1.660
Rmerge	0.067	0.022	0.848
Rmeas	0.079	0.026	1.053
Rpim	0.043	0.014	0.613
Total number of observations	128715
Number of reflections	38595	449	2774
<I/σ(I)>	12.4		1.3
Completeness [%]	97.1	95.3	95.9
Redundancy	3.3	3.4	2.9
CC(1/2)	0.998	0.998	0.425

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	294	Protein concentration 4 mg/ml. 0.2 M ammonium citrate and 12% (v/v) PEG3350.