1SLQ

Crystal structure of the trimeric state of the rhesus rotavirus VP4 membrane interaction domain, VP5CT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.916
Spacegroup name	P 42 2 2
Unit cell lengths	244.843, 244.843, 104.778
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.200
R-factor	0.308 *
Rwork	0.308
R-free	0.33800
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	24.930 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.270
High resolution limit [Å]	3.200	3.200
Rmerge	0.057	0.120
Number of reflections	51973	3446 *
<I/σ(I)>	23.6	8.8
Completeness [%]	99.8	99.8
Redundancy	8.4	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	23 *	ammonium sulfate, MPD, Pipes, Tris, EDTA, sodium azide, benzamidine, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 296K
1	VAPOR DIFFUSION, HANGING DROP	8 *	23 *	ammonium sulfate, MPD, Pipes, Tris, EDTA, sodium azide, benzamidine, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9 (mg/ml)
2	1	drop	Tris	20 (mM)
3	1	drop	EDTA	1 (mM)
4	1	drop	sodium azide	0.02 (%)
5	1	drop	benzamidine	0.1 (mM)
6	1	reservoir	ethanol	6 (%)
7	1	reservoir	Tris	50 (mM)
8	1	reservoir	dithiothreitol	1 (mM)