8RZD

SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 9

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	2024-01-27
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97626
Spacegroup name	P 31 2 1
Unit cell lengths	168.204, 168.204, 52.057
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	72.830 - 2.100
R-factor	0.2131
Rwork	0.212
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.030
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.100	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.162	2.117
Rmeas	0.166	2.170
Rpim	0.037	0.475
Number of reflections	49446	4029
<I/σ(I)>	11.9	1.3
Completeness [%]	100.0	100
Redundancy	19.8	20.4
CC(1/2)	0.998	0.828

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, 0.14 M magnesium chloride