7T7H

Crystal structure of Vaccinia Virus decapping enzyme D9 in complex with inhibitor CP100356

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.115830
Spacegroup name	P 21 21 21
Unit cell lengths	56.770, 82.770, 96.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.773 - 1.780
R-factor	0.188553271362
Rwork	0.187
R-free	0.21937
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7sev
RMSD bond length	0.019
RMSD bond angle	1.985
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.773	1.844
High resolution limit [Å]	1.780	1.780
Rmerge	0.044	0.951
Rmeas	0.046
Number of reflections	44130	4244
<I/σ(I)>	30.35
Completeness [%]	99.8
Redundancy	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	20% PEG 3350, 100mM NaF