7R1U

Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the WZ16 inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-21
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.541870
Spacegroup name	P 31 2 1
Unit cell lengths	168.011, 168.011, 52.085
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.490 - 2.500
R-factor	0.233049431931
Rwork	0.232
R-free	0.25212
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yz1
RMSD bond length	0.032
RMSD bond angle	0.970
Data reduction software	XDS (xdsgui2)
Data scaling software	XDS (xdsgui2)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.490	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.603	3.751
Rmeas	0.636	3.950
Number of reflections	29361	2909
<I/σ(I)>	4.64	0.7
Completeness [%]	100.0	100
Redundancy	9.9	10.2
CC(1/2)	0.968	0.235

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	8% w/v PEG 8,000; 0.2 M NaCl; 0.1 M MES pH 6