8RVA

SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 7

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	90
Detector technology	PIXEL
Collection date	2023-08-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97624
Spacegroup name	P 31 2 1
Unit cell lengths	167.816, 167.816, 51.857
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	72.670 - 1.800
R-factor	0.1966
Rwork	0.196
R-free	0.20450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.927
Data reduction software	xia2
Data scaling software	Aimless (0.7.9)
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.910	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.174	2.625
Rmeas	0.178	2.684
Rpim	0.038	0.560
Number of reflections	77282	103125
<I/σ(I)>	13	1.4
Completeness [%]	99.7	99.9
Redundancy	21.9	22.4
CC(1/2)	0.999	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.1 M MES (pH 5.6), 7% PEG 3350, 0.12 M magnesium chloride