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4DZZ

Structure of ParF-ADP, crystal form 1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.3.1
Synchrotron siteALS
Beamline8.3.1
Temperature [K]100
Detector technologyCCD
Collection date2011-03-12
DetectorADSC QUANTUM 315r
Wavelength(s)1.02
Spacegroup nameP 1 21 1
Unit cell lengths39.500, 78.300, 68.500
Unit cell angles90.00, 93.00, 90.00
Refinement procedure
Resolution39.450 - 1.800
R-factor0.203
Rwork0.203
R-free0.24400
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.005
RMSD bond angle1.100
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareCNS (1.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]78.3001.880
High resolution limit [Å]1.8001.800
Number of reflections34196
Completeness [%]99.099
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5298peg 4000, isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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