4DOX

Crystal Structure of Papaya mosaic virus capsid protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1000
Spacegroup name	P 65
Unit cell lengths	72.943, 72.943, 133.325
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.700
R-factor	0.17117
Rwork	0.168
R-free	0.22848
Structure solution method	SIRAS
RMSD bond length	0.019
RMSD bond angle	1.710
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.129		0.446
Number of reflections	11047
<I/σ(I)>	16.7		4.2
Completeness [%]	99.0	100	99
Redundancy	8.5		8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.6	277	100 mM Hepes, 9% PEG 6000, pH 7.6, VAPOR DIFFUSION, temperature 277K
1	VAPOR DIFFUSION	7.6	277	100 mM Hepes, 9% PEG 6000, pH 7.6, VAPOR DIFFUSION, temperature 277K