2R7Q

Crystal Structure of VP1 apoenzyme of Rotavirus SA11 (C-terminal hexahistidine-tagged)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1808
Spacegroup name	P 21 21 21
Unit cell lengths	76.384, 112.474, 143.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.900
R-factor	0.23
Rwork	0.230
R-free	0.29000
Structure solution method	MIRAS
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.000
High resolution limit [Å]	2.900	6.230	2.900
Rmerge	0.055	0.022	0.426
Number of reflections	28000
<I/σ(I)>	15.7
Completeness [%]	99.8	99.5	99.1
Redundancy	3.9	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	285	1 microliter of VP1 at 10 mg/ml in 25 mM Na-HEPES, pH 7.8, 100 mM NaCl mixed with 2 microliter of crystallization buffer [25 mM Na-MES, pH 6.5, 1.5% (w/v) PEG 3350] and allowing the drop to equilibrate at 12 C by hanging-drop vapor diffusion with a well solution identical in composition to the drop except for the protein. With micro-seeding, thin, plate-like crystals appeared after 1 day and grew to full size in about two weeks, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 285K