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3EPM

Crystal structure of Caulobacter crescentus ThiC

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-C
Synchrotron siteAPS
Beamline24-ID-C
Temperature [K]100
Detector technologyCCD
Collection date2005-08-08
DetectorADSC QUANTUM 315
Wavelength(s)0.97918
Spacegroup nameP 1 21 1
Unit cell lengths63.247, 103.442, 95.369
Unit cell angles90.00, 91.62, 90.00
Refinement procedure
Resolution43.290 - 2.793
R-factor0.185
Rwork0.181
R-free0.24400
RMSD bond length0.006
RMSD bond angle1.000
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMLPHARE
Refinement softwarePHENIX
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.900
High resolution limit [Å]2.7902.790
Rmerge0.1390.404
Number of reflections28913
<I/σ(I)>18.8
Completeness [%]100.0100
Redundancy7.16.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.229840% PEG4000, 200 mM Li2SO4, 2 mM DTT, 100 mM Tris-HCl, pH 8.2, vapor diffusion, hanging drop, temperature 298K

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