6LP9

the protein of cat virus

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	C 1 2 1
Unit cell lengths	124.415, 86.297, 87.790
Unit cell angles	90.00, 130.75, 90.00

Refinement procedure

Resolution	29.523 - 1.803
R-factor	0.1871
Rwork	0.186
R-free	0.20660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ivc
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	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.117	0.098	0.402
Rmeas	0.126	0.107	0.435
Rpim	0.048	0.041	0.166
Total number of observations	434674
Number of reflections	63396	6391	6184
<I/σ(I)>	4.4
Completeness [%]	98.2	97	97.1
Redundancy	6.9	6.9	6.7
CC(1/2)		0.967	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	PEG 3350, ammonium citrate dibasic