7GQN

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1201621250

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	2023-01-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92124
Spacegroup name	P 21 21 21
Unit cell lengths	42.792, 62.797, 147.439
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.840 - 1.440
R-factor	0.19721
Rwork	0.196
R-free	0.21150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.645
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.770	1.460
High resolution limit [Å]	1.440	1.440
Rmerge	0.111	2.094
Rmeas	0.116	2.232
Rpim	0.032	0.753
Total number of observations	910757	31924
Number of reflections	73042	3530
<I/σ(I)>	10	0.4
Completeness [%]	99.9
Redundancy	12.5	9
CC(1/2)	0.998	0.256

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.14	298	25% PEG 3350, 0.1M Tris, 0.2M Ammonium acetate