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2DVL

Crystal structure of project TT0160 from Thermus thermophilus HB8

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL26B2
Synchrotron siteSPring-8
BeamlineBL26B2
Temperature [K]100
Detector technologyCCD
Collection date2005-12-14
DetectorRIGAKU JUPITER
Wavelength(s)1.0
Spacegroup nameP 41 21 2
Unit cell lengths116.479, 116.479, 149.394
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution40.000 - 2.500
R-factor0.193
Rwork0.193
R-free0.23000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)PDB code 1JQI
RMSD bond length0.006
RMSD bond angle1.100
Data reduction softwared*TREK
Data scaling softwareCrystalClear ((MSC/RIGAKU))
Phasing softwareMOLREP
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.510
High resolution limit [Å]2.4202.420
Rmerge0.0830.356
Number of reflections72738
<I/σ(I)>177.1
Completeness [%]99.6100
Redundancy13.9714.39
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.62930.1M Ammonium dihydrogen phosphate, 0.1M Tris HCl, pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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