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4E07

ParF-AMPPCP-C2221 form

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.3.1
Synchrotron siteALS
Beamline8.3.1
Temperature [K]100
Detector technologyCCD
Collection date2011-03-13
DetectorADSC QUANTUM 315r
Wavelength(s)1.03
Spacegroup nameC 2 2 21
Unit cell lengths86.950, 121.580, 87.370
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution28.710 - 2.900
R-factor0.239
Rwork0.239
R-free0.25000
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.200
Data reduction softwareHKL-3000
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareCNS (1.2)
Data quality characteristics
 Overall
Low resolution limit [Å]43.200
High resolution limit [Å]2.900
Number of reflections11316
Completeness [%]95.0
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5298PEG 6000, 1 M NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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