6X0R

A Circular Permutant of the Tobacco Mosaic Virus (TMV) mutant Q101H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1158
Spacegroup name	C 1 2 1
Unit cell lengths	218.697, 176.213, 102.248
Unit cell angles	90.00, 99.16, 90.00

Refinement procedure

Resolution	48.970 - 3.000
R-factor	0.2694
Rwork	0.269
R-free	0.28880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kml
RMSD bond length	0.002
RMSD bond angle	0.451
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	136.520	2.860
High resolution limit [Å]	2.810	2.810
Rmerge	0.111
Number of reflections	91158	4016
<I/σ(I)>	9.8
Completeness [%]	98.0	88.2
Redundancy	6.9	6
CC(1/2)	0.999	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M SPG buffer (0.0125 M succinic acid, 0.0438 M sodium phosphate, 0.0437 M glycine), 12%-18% (v/v) PEG 1500, pH 5.0-5.5