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3Q6V

Crystal Structure of Serratia fonticola Sfh-I: glycerol complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyCCD
Collection date2009-08-08
DetectorADSC QUANTUM 315
Wavelength(s)0.9795
Spacegroup nameP 1 21 1
Unit cell lengths32.830, 87.280, 72.570
Unit cell angles90.00, 90.85, 90.00
Refinement procedure
Resolution26.230 - 1.370
R-factor0.1644
Rwork0.163
R-free0.19560
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.322
Data scaling softwareSCALA (3.3.9)
Phasing softwarePHASER
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]72.5621.450
High resolution limit [Å]1.3701.370
Rmerge0.0560.550
Number of reflections84788
<I/σ(I)>3.3
Completeness [%]99.8100
Redundancy7.16.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP72930.2M sodium acetate, 27% w/v PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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