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1S12

Crystal structure of TM1457

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.2
Synchrotron siteALS
Beamline5.0.2
Temperature [K]90
Detector technologyCCD
Collection date2002-07-05
DetectorADSC QUANTUM 4
Wavelength(s)0.97960
Spacegroup nameP 1 21 1
Unit cell lengths50.890, 63.280, 65.500
Unit cell angles90.00, 108.01, 90.00
Refinement procedure
Resolution19.980 - 2.000
R-factor0.214
Rwork0.214
R-free0.27600
Structure solution methodSAD
RMSD bond length0.011
RMSD bond angle1.400
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSOLVE
Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.4002.030
High resolution limit [Å]2.0002.000
Number of reflections26634
Completeness [%]98.194.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52951.4M NaCitrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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