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2GWO

crystal structure of TMDP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE BL-18B
Synchrotron sitePhoton Factory
BeamlineBL-18B
Temperature [K]93
Detector technologyCCD
Collection date2002-11-08
DetectorADSC QUANTUM 4
Wavelength(s)1.
Spacegroup nameP 1 21 1
Unit cell lengths61.586, 72.240, 89.896
Unit cell angles90.00, 99.66, 90.00
Refinement procedure
Resolution40.000 - 2.400
R-factor0.198
Rwork0.198
R-free0.25000
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle1.300
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareEPMR
Refinement softwareCNS (0.9)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.000
High resolution limit [Å]2.4002.400
Number of reflections29452
Completeness [%]96.297.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52911.5M NaCl, 10% EtOH, 10mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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