8RVB

SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 8

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	167.757, 167.757, 51.677
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	72.640 - 1.950
R-factor	0.1876
Rwork	0.187
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.931
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]	145.280	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.179	2.109
Rmeas	0.183	2.158
Rpim	0.039	0.456
Number of reflections	66377	95853
<I/σ(I)>	13.9	1.8
Completeness [%]	100.0	100
Redundancy	21.9	22.5
CC(1/2)	0.999	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.1 M MES (pH 5.6), 5% PEG 3350, 0.22 M magnesium chloride