8Y9K

Crystal structure of the BmCPV1 NSP9 homodimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	82.429, 83.570, 184.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.210 - 1.800
R-factor	0.1839
Rwork	0.184
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.006
RMSD bond angle	1.011
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.510	5.370	1.910
High resolution limit [Å]	1.800	3.810	1.800
Rmerge	0.095	0.054	1.355
Rmeas	0.107
Rpim	0.049
Number of reflections	224824	15190	36372
<I/σ(I)>	8.42		1
Completeness [%]	98.6
Redundancy	8.8
CC(1/2)	0.997	0.995	0.467

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Bis-Tris (pH 8.0) 20% (w/v) polyethylene glycol (PEG) 4000