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3TPD

Structure of pHipA, monoclinic 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 date2009-12-12
DetectorADSC QUANTUM 315r
Wavelength(s)1.0
Spacegroup nameP 1 21 1
Unit cell lengths48.480, 84.060, 50.060
Unit cell angles90.00, 90.13, 90.00
Refinement procedure
Resolution50.060 - 1.500
R-factor0.213
Rwork0.213
R-free0.24800
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.013
RMSD bond angle1.600
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareCNS (1.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.1001.580
High resolution limit [Å]1.5001.500
Number of reflections52283
Completeness [%]99.099
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5298Peg 8000, glycerol, phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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