8RV7

SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 4

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	90
Detector technology	PIXEL
Collection date	2023-03-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 31 2 1
Unit cell lengths	168.124, 168.124, 52.013
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.800 - 1.900
R-factor	0.174
Rwork	0.173
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.145
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.980	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.141	1.967
Rmeas	0.145	2.022
Rpim	0.032
Number of reflections	66377	78435
<I/σ(I)>	15.5	1.7
Completeness [%]	99.9	99.6
Redundancy	20.4	18.5
CC(1/2)	0.998	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.1 M MES (pH 5.6), 9% PEG 3350, 0.06 M magnesium chloride