9MRU

Structural Asymmetry in SARS-CoV-2 Nsp15 Hexamer Important for Catalytic Activity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	298
Detector technology	PIXEL
Collection date	2023-02-27
Detector	PSI JUNGFRAU 4M
Wavelength(s)	1.075
Spacegroup name	P 1 21 1
Unit cell lengths	154.700, 116.600, 154.800
Unit cell angles	90.00, 119.40, 90.00

Refinement procedure

Resolution	29.980 - 3.000
R-factor	0.1979
Rwork	0.185
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.443
Data reduction software	CrystFEL (v11.1)
Data scaling software	XDS (VERSION Jun 30, 2024)
Phasing software	MOLREP (CCP4-V9.0)
Refinement software	PHENIX ((1.21.1_5286))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.110
High resolution limit [Å]	3.000	3.000
Number of reflections	96013	4376
<I/σ(I)>	3.6	0.54
Completeness [%]	100.0
Redundancy	280
CC(1/2)	0.930	0.080

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	277	100 mM HEPES-NaOH, pH 7.5, 200 mM calcium acetate, 8% (w/v) PEG 8000