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2HTM

Crystal structure of TTHA0676 from Thermus thermophilus HB8

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL26B1
Synchrotron siteSPring-8
BeamlineBL26B1
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2005-06-29
DetectorRIGAKU RAXIS V
Wavelength(s)0.97908
Spacegroup nameP 1
Unit cell lengths47.339, 73.511, 100.911
Unit cell angles68.64, 80.16, 79.09
Refinement procedure
Resolution19.960 - 2.300
R-factor0.253
Rwork0.253
R-free0.26600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1wv2
RMSD bond length0.015
RMSD bond angle1.800
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.380
High resolution limit [Å]2.3002.300
Rmerge0.0660.372
Number of reflections53298
<I/σ(I)>8.12.5
Completeness [%]98.597.4
Redundancy2.52.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1MICROBATCH7.5291PEG 4000, HEPES, pH 7.5, microbatch, temperature 291K

217705

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