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2IOF

Crystal structure of phosphonoacetaldehyde hydrolase with sodium borohydride-reduced substrate intermediate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2003-10-03
DetectorRIGAKU RAXIS
Wavelength(s)1.56210
Spacegroup nameC 1 2 1
Unit cell lengths159.820, 64.020, 98.330
Unit cell angles90.00, 123.52, 90.00
Refinement procedure
Resolution100.000 - 2.500
R-factor0.231
Rwork0.231
R-free0.29800
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.654
Data reduction softwareDENZO
Data scaling softwareSCALA
Phasing softwareAMoRE
Refinement softwareCNS (1.1)
Data quality characteristics
 Overall
Low resolution limit [Å]100.000
High resolution limit [Å]2.400
Rmerge0.190
Number of reflections27942
Completeness [%]92.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.6291pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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