4YPT

X-ray structural of three tandemly linked domains of nsp3 from murine hepatitis virus at 2.60 Angstroms resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-BM-B
Synchrotron site	APS
Beamline	23-BM-B
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03
Spacegroup name	I 21 3
Unit cell lengths	155.576, 155.576, 155.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.197 - 2.601
R-factor	0.1734
Rwork	0.171
R-free	0.22200
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.138
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.057	0.749
Number of reflections	21716
<I/σ(I)>	38.2	4.5
Completeness [%]	99.7	100
Redundancy	10.2	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM HEPES, 4% PEG400, 2M (NH4)2SO4 and 5mM DTT