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4XWL

Catalytic domain of Clostridium Cellulovorans Exgs

Replaces:  4KIH
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL13B1
Synchrotron siteNSRRC
BeamlineBL13B1
Temperature [K]100
Detector technologyCCD
Collection date2008-11-09
DetectorADSC QUANTUM 315
Wavelength(s)1.0
Spacegroup nameP 41 21 2
Unit cell lengths108.243, 108.243, 182.989
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution28.332 - 2.051
R-factor0.1429
Rwork0.142
R-free0.17370
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1f9o
RMSD bond length0.008
RMSD bond angle1.055
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER (2.5.0)
Refinement softwarePHENIX ((phenix.refine: 1.9_1692))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.090
High resolution limit [Å]2.0502.050
Rmerge0.0750.401
Total number of observations588718
Number of reflections68817
<I/σ(I)>10.6
Completeness [%]100.0100
Redundancy8.68.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5293PEG400, AMMONIUM SULFATE, HEPES

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