4TPL

West Nile Virus Non-structural protein 1 (NS1) Form 1 crystal

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.74625
Spacegroup name	P 3 2 1
Unit cell lengths	167.850, 167.850, 93.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.454 - 2.900
R-factor	0.1723
Rwork	0.170
R-free	0.20960
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.008
Phasing software	SHELX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.454		2.960
High resolution limit [Å]	2.900	7.880	2.900
Rmerge	0.313	0.094	9.000
Rmeas	0.315	0.095	9.091
Total number of observations	6267610
Number of reflections	33918	3270	3942
<I/σ(I)>	19.64	66.92	0.69
Completeness [%]	100.0	99.6	99.9
Redundancy	96		50

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	278	25% PEG 3000, 5% Glycerol, 20 mM Sodium Citrate pH 5.5