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3LQY

Crystal structure of putative isochorismatase hydrolase from Oleispira antarctica

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyCCD
Collection date2009-06-14
DetectorADSC QUANTUM 315r
Wavelength(s)0.9793
Spacegroup nameP 32 2 1
Unit cell lengths41.590, 41.590, 171.198
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution50.000 - 1.750
R-factor0.21321
Rwork0.212
R-free0.24282
Structure solution methodSAD
RMSD bond length0.016
RMSD bond angle1.550
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareHKL-3000
Refinement softwareREFMAC (5.5.0072)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.780
High resolution limit [Å]1.7501.750
Rmerge0.0900.540
Number of reflections18174
<I/σ(I)>48.52.5
Completeness [%]98.891.3
Redundancy8.76.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION5.6295PEG 3350 25%, NaCl 0.2M, Na citrate 0.1M pH 5.6, VAPOR DIFFUSION, temperature 295K

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