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1U25

Crystal structure of Selenomonas ruminantium phytase complexed with persulfated phytate in the C2221 crystal form

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL12B2
Synchrotron siteSPring-8
BeamlineBL12B2
Detector technologyCCD
Collection date2003-02-15
DetectorADSC QUANTUM 4
Wavelength(s)1.0362
Spacegroup nameC 2 2 21
Unit cell lengths128.376, 228.745, 91.778
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution35.210 - 2.500
Rwork0.179
R-free0.26500
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.017
RMSD bond angle1.980
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.530
High resolution limit [Å]2.4402.440
Rmerge0.078
Number of reflections37388
<I/σ(I)>13
Completeness [%]84.0
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP92980.1M LiCl, 0.05M CAPSO, 12% PEG6000, 2% PEG200, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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