7JIB

Room Temperature Crystal Structure of Nsp10/Nsp16 from SARS-CoV-2 with Substrates and Products of 2'-O-methylation of the Cap-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	295
Detector technology	PIXEL
Collection date	2020-07-10
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	170.830, 170.830, 52.738
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.590 - 2.650
R-factor	0.1562
Rwork	0.155
R-free	0.18090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wq3
RMSD bond length	0.004
RMSD bond angle	1.291
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.148	1.037
Rpim	0.071	0.507
Number of reflections	25799	1263
<I/σ(I)>	15	1.87
Completeness [%]	99.6	99.8
Redundancy	5.2	4.9
CC(1/2)	0.981	0.537

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	Protein: 4.0 mg/ml (Nsp10/Nsp16 1:1), 0.15 M NaCl, 0.01 M Tris-HCl, 2 mM SAM, 1 mM TCEP, 5% Glycerol, pH 7.5. Precipitation buffer: 0.1 M MES pH 6.5, 0.9 M NaF. Sitting drops made using 0.4 ul of protein mixed with 0.4 ul of precipitation buffer.