7FA1

Crystal Structure of N-terminus of the non-structural protein 2 from SARS coronavirus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-07
Detector	RAYONIX MX-225
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	67.092, 76.821, 64.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.330 - 1.600
R-factor	0.1895
Rwork	0.188
R-free	0.22150
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.073	0.047	0.856
Total number of observations	302182
Number of reflections	44650	4754	3933
<I/σ(I)>	12
Completeness [%]	98.7	99.2	88.5
Redundancy	6.8	6.7	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	20% (w/v) PEG 8000, 0.2M magnesium acetate tetrahydrate, 0.1M sodium cacodylate trihydrate, 4% (v/v) n-propanol
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	20% (w/v) PEG 8000, 0.2M magnesium acetate tetrahydrate, 0.1M sodium cacodylate trihydrate, 4% (v/v) n-propanol