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1Q6V

First crystal structure of a C49 monomer PLA2 from the venom of Daboia russelli pulchella at 1.8 A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]290
Detector technologyIMAGE PLATE
Collection date2003-04-23
DetectorMARRESEARCH
Wavelength(s)1.5412
Spacegroup nameP 43
Unit cell lengths53.070, 53.070, 48.390
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.860
R-factor0.204
Rwork0.204
R-free0.20800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1FVO.pdb
RMSD bond length0.007
RMSD bond angle1.900
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS (0.9)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.900
High resolution limit [Å]1.8601.860
Number of reflections11071
<I/σ(I)>24.32.1
Completeness [%]98.195.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP729830%PEG4000, 0.2M Ammonium Sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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