2ACF

NMR STRUCTURE OF SARS-COV NON-STRUCTURAL PROTEIN NSP3A (SARS1) FROM SARS CORONAVIRUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	200
Detector technology	CCD
Collection date	2005-03-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97945
Spacegroup name	P 21 21 21
Unit cell lengths	76.495, 81.585, 125.465
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.400
R-factor	0.16541
Rwork	0.164
R-free	0.18916
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.696
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.430
High resolution limit [Å]	1.400	1.400
Rmerge	0.062	0.590
Number of reflections	154558
<I/σ(I)>	32.93	2.82
Completeness [%]	99.2
Redundancy	3.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	1.5M sodium malonate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K