4HBO

Crystal Structure of Rubella virus capsid protein (residues 127-277)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	298
Detector technology	CCD
Collection date	2011-10-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	42.790, 279.700, 76.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.617 - 3.241
R-factor	0.3424
Rwork	0.340
R-free	0.36790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4har
RMSD bond length	0.007
RMSD bond angle	1.197
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.310
High resolution limit [Å]	3.241	8.810	3.250
Rmerge	0.107	0.061	0.522
Number of reflections	7669
<I/σ(I)>	7.7
Completeness [%]	99.0	99.1	92.7
Redundancy	12.7	12.3	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	18% PEG 4000, 20% 2-propanol, 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K