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3FPZ

Saccharomyces cerevisiae THI4p is a suicide thiamin thiazole synthase

Replaces:  2GJC
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCHESS BEAMLINE A1
Synchrotron siteCHESS
BeamlineA1
Temperature [K]100
Detector technologyCCD
Collection date2005-08-26
DetectorADSC QUANTUM 210
Wavelength(s)0.98310
Spacegroup nameI 4
Unit cell lengths140.696, 140.696, 73.325
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution49.750 - 1.820
R-factor0.198
Rwork0.195
R-free0.23600
Starting model (for MR)1rp0
RMSD bond length0.013
RMSD bond angle1.443
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareREFMAC (5.4.0066)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.890
High resolution limit [Å]1.8201.820
Rmerge0.0450.256
Number of reflections63274
<I/σ(I)>22.6693.3
Completeness [%]98.594
Redundancy4.43.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52951.65-2.00 M Li2SO4, 100 mM HEPES, pH 7.5, vapor diffusion, hanging drop, temperature 295K

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