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3AXJ

High resolution crystal structure of C3PO

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]100
Detector technologyCCD
Collection date2009-12-20
DetectorADSC QUANTUM 315
Wavelength(s)0.9792
Spacegroup nameC 2 2 21
Unit cell lengths101.676, 114.720, 123.909
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution24.850 - 2.100
R-factor0.20449
Rwork0.203
R-free0.23842
Structure solution methodSAD
RMSD bond length0.015
RMSD bond angle1.375
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareSHARP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.150
High resolution limit [Å]2.1002.100
Number of reflections40056
Completeness [%]99.499.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7293PEG, Cacodylate, Mg2+, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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