1G1I

CRYSTAL STRUCTURE OF THE OLIGOMERIZATION DOMAIN FROM ROTAVIRUS NSP4

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-04-27
Detector	BRANDEIS - B4
Wavelength(s)	0.9785,0.9788,0.95
Spacegroup name	P 21 21 2
Unit cell lengths	35.470, 35.399, 60.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.070 - 2.000
R-factor	0.235
Rwork	0.235
R-free	0.24500
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.045	0.235
Total number of observations	109286 *
Number of reflections	10000
<I/σ(I)>	11.7
Completeness [%]	99.9	99.6
Redundancy	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	298	PEG400, magnesium sulfate, Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	100 (mM)
2	1	reservoir	PEG400	20-28 (%)
3	1	reservoir	Tris-HCl	100 (mM)