6LPA

The nsp1 protein of a new porcine coronavirus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	EUROPEAN XFEL BEAMLINE FXE
Synchrotron site	European XFEL
Beamline	FXE
Temperature [K]	80
Detector technology	CCD
Collection date	2019-06-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	54.831, 60.371, 84.005
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.188 - 2.105
R-factor	0.2363
Rwork	0.235
R-free	0.25290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xbc
Data scaling software	HKL-2000
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	4.520	2.180
High resolution limit [Å]	2.100	3.590	2.100
Rmerge	0.091	0.076	0.947
Rmeas	0.095	0.079	0.985
Rpim	0.026	0.022	0.268
Total number of observations	216291
Number of reflections	16746	1712	1641
<I/σ(I)>	4.6
Completeness [%]	100.0	100	100
Redundancy	12.9	13	13.2
CC(1/2)		0.998	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	PEG 3350, ammonium citrate dibasic