7JRE

Crystal structure of EV-D68 2A protease C107A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97933
Spacegroup name	P 4
Unit cell lengths	118.772, 118.772, 80.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.760 - 2.500
R-factor	0.226
Rwork	0.219
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hrv
RMSD bond length	0.006
RMSD bond angle	0.772
Data reduction software	XDS
Data scaling software	XDS
Phasing software	BALBES
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.760	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.044	0.213
Rmeas	0.062	0.302
Rpim	0.044	0.213
Number of reflections	38883	3875
<I/σ(I)>	21	3.8
Completeness [%]	100.0	100
Redundancy	2
CC(1/2)	0.994	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	0.05 M Sodium Cacodylate, 10% (v/v) 2-Propanol, 0.005 M Magnesium Chloride, 0.005 M Spermine