5JIE

Crystal structure of the Orsay virus delta protein N-terminal fragment (aa 1~66)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97853
Spacegroup name	C 1 2 1
Unit cell lengths	175.013, 32.133, 65.648
Unit cell angles	90.00, 99.71, 90.00

Refinement procedure

Resolution	48.018 - 2.137
R-factor	0.2077
Rwork	0.206
R-free	0.23140
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.846
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.137	5.810	2.137
Rmerge	0.122	0.049	0.583
Number of reflections	19535
<I/σ(I)>	6.3
Completeness [%]	95.9	99.3	76.5
Redundancy	4.3	4.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.6 M ammonium sulfate, 0.1 M MES monohydrate (pH 6.5), and 12% v/v dioxane
2	EVAPORATION		293	0.1 M citric acid (pH 5.0) and 14% (w/v) PEG 6,000