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2D4O

Crystal structure of TTHA1254 (I68M mutant) from Thermus thermophilus HB8

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL26B1
Synchrotron siteSPring-8
BeamlineBL26B1
Temperature [K]100
Detector technologyCCD
Collection date2005-09-30
DetectorRIGAKU JUPITER 210
Wavelength(s)0.96300, 0.97896, 0.97932
Spacegroup nameP 31 2 1
Unit cell lengths58.463, 58.463, 77.679
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution50.000 - 1.800
R-factor0.18305
Rwork0.180
R-free0.23574
Structure solution methodMAD
RMSD bond length0.016
RMSD bond angle1.487
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareSOLVE
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 Overall
Low resolution limit [Å]50.000
High resolution limit [Å]1.800
Number of reflections14538
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7293PEG3350, Hepes, NaCl, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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