6G45

Crystal structure of mavirus major capsid protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	134.050, 137.050, 138.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.680 - 2.500
R-factor	0.2139
Rwork	0.213
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g44
RMSD bond length	0.006
RMSD bond angle	1.101
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.680	48.680	2.600
High resolution limit [Å]	2.500	10.000	2.500
Rmerge	0.130	0.067	0.772
Rmeas	0.137	0.071	0.812
Number of reflections	88504	1522	9704
<I/σ(I)>	13.94	29.59	3.71
Completeness [%]	100.0	98.8	100
Redundancy	10.09	9.015	10.316
CC(1/2)	0.996	0.993	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.3 - 1.6 M ammonium sulfate, 19-25% glycerol