6T1Q

3C-like protease from Southampton norovirus.

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	2016-12-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	C 1 2 1
Unit cell lengths	63.133, 89.359, 61.581
Unit cell angles	90.00, 96.48, 90.00

Refinement procedure

Resolution	41.290 - 1.300
R-factor	0.1534
Rwork	0.151
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iph
RMSD bond length	0.015
RMSD bond angle	1.882
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.290	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.044	1.396
Rmeas	0.048	1.525
Rpim	0.018	0.606
Number of reflections	83130	6151
<I/σ(I)>	13.6	1.1
Completeness [%]	99.9	99.9
Redundancy	6.6
CC(1/2)	1.000	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.2 M ammonium citrate, 12% (v/v) PEG3350.