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3UL4

Crystal structure of Coh-OlpA(Cthe_3080)-Doc918(Cthe_0918) complex: A novel type I Cohesin-Dockerin complex from Clostridium thermocellum ATTC 27405

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-2
Synchrotron siteESRF
BeamlineID14-2
Temperature [K]100
Detector technologyCCD
Collection date2008-11-24
DetectorADSC QUANTUM 4r
Spacegroup nameI 41 2 2
Unit cell lengths130.050, 130.050, 70.190
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution32.790 - 1.950
R-factor0.176
Rwork0.175
R-free0.20600
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.014
RMSD bond angle1.314
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.3.9)
Phasing softwareBALBES
Refinement softwarePHENIX (1.7.2_865)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]91.9592.050
High resolution limit [Å]1.9461.950
Rmerge0.420
Number of reflections22341
<I/σ(I)>23.31.8
Completeness [%]100.0100
Redundancy14.413.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.52930.2 M lithium sulfate, 10% w/v PEG 8000+, 10% w/v PEG 1000, pH 7.5, vapor diffusion, hanging drop, temperature 293K

222036

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