2QQP

Crystal Structure of Authentic Providence Virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	659.790, 434.070, 415.850
Unit cell angles	90.00, 126.13, 90.00

Refinement procedure

Resolution	49.420 - 3.800
R-factor	0.285
Rwork	0.285
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ohf
RMSD bond length	0.011
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	GLRF
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.940
High resolution limit [Å]	3.800	3.800
Rmerge	0.158	0.249
Number of reflections	272211
<I/σ(I)>	3.6	1.9
Completeness [%]	29.6	28.2
Redundancy	1.3	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	2 ul of 7mg/ml virus solution (20mM Tris pH 7.5) added to 2 ul of 100mM Tris pH 7.5, 0.5-1.5% PEG8000, 10-100mM NaCl. Plates about 0.1 mm in size appear in 1-4 weeks., vapor diffusion, hanging drop, temperature 295K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	20mM Tris
2	1	2	100mM Tris
3	1	2	PEG8000
4	1	2	NaCl