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2EF8

Crystal structure of C.EcoT38IS

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL38B1
Synchrotron siteSPring-8
BeamlineBL38B1
Temperature [K]100
Detector technologyCCD
Collection date2006-07-13
DetectorRIGAKU JUPITER 210
Wavelength(s)1.00
Spacegroup nameP 21 21 21
Unit cell lengths52.420, 56.952, 61.742
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution14.920 - 1.950
R-factor0.202
Rwork0.202
R-free0.25700
Structure solution methodMIR
RMSD bond length0.008
RMSD bond angle1.300
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]27.1002.020
High resolution limit [Å]1.9501.950
Rmerge0.0380.152
Number of reflections13953
<I/σ(I)>23.19.5
Completeness [%]99.7100
Redundancy7.77.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.62932.0M Ammonium Sulfate, 0.1M Sodium Acetate trihydrate pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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