7LW2

Crystal structure of EV-D68 2A protease N84T mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.28361
Spacegroup name	P 4
Unit cell lengths	119.255, 119.255, 80.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.430 - 2.570
R-factor	0.2245
Rwork	0.215
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jre
RMSD bond length	0.006
RMSD bond angle	0.826
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (dev_3893)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.430	2.660
High resolution limit [Å]	2.570	2.570
Rmerge	0.032	0.698
Rmeas	0.045	0.987
Rpim	0.032	0.698
Number of reflections	36120	3599
<I/σ(I)>	16.31
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.999	0.371

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