8RZC

SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 11

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)	0.97627
Spacegroup name	P 31 2 1
Unit cell lengths	168.202, 168.202, 51.991
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.970 - 2.350
R-factor	0.186
Rwork	0.185
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.006
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]	51.990	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.185	1.168
Rmeas	0.190	1.200
Rpim	0.041	0.274
Number of reflections	35340	3402
<I/σ(I)>	13.5	1.2
Completeness [%]	100.0	100
Redundancy	20.9	19.1
CC(1/2)	0.992	0.852

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, 0.14 M magnesium chloride