6Z4U

X-ray Crystallographic Structure of Orf9b from SARS-CoV-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979329
Spacegroup name	P 21 21 21
Unit cell lengths	36.030, 64.571, 73.536
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.770 - 1.950
R-factor	0.2194
Rwork	0.217
R-free	0.25670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cme
RMSD bond length	0.009
RMSD bond angle	1.704
Data reduction software	DIALS (2.2.4-g04de204b4-release)
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP (11.7.02)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.770	36.770	1.990
High resolution limit [Å]	1.950	8.920	1.950
Rmerge	0.123	0.080	0.783
Rmeas	0.133	0.089	0.838
Rpim	0.050	0.036	0.291
Number of reflections	13064	174	877
<I/σ(I)>	8.5
Completeness [%]	99.3	99.4	95.1
Redundancy	7.4	5.9	7.6
CC(1/2)	0.934	0.992	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	Protein at 8.3 mg/ml in 20 mM Tris pH 7.0 150 mM NaCl, 1mM DTT was mixed in a 3:2 ratio with the MORPHEUS crystallization screen condition E4 (Tube 2-4; 0.12 M Ethylene glycols 0.1 M Buffer System 1 pH 6.5 37.5 % v/v Precipitant Mix 4)