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3AMM

Cellotetraose complex of cellulase 12A from thermotoga maritima

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL13B1
Synchrotron siteNSRRC
BeamlineBL13B1
Temperature [K]100
Detector technologyCCD
Collection date2010-01-28
DetectorADSC QUANTUM 315r
Wavelength(s)1.0011
Spacegroup nameP 21 21 21
Unit cell lengths42.259, 73.876, 181.159
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution25.000 - 1.980
R-factor0.15
Rwork0.146
R-free0.18900
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)3amh
RMSD bond length0.020
RMSD bond angle2.000
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0002.050
High resolution limit [Å]1.9801.980
Rmerge0.0740.288
Number of reflections37964
<I/σ(I)>258.1
Completeness [%]93.382.9
Redundancy5.95.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.52980.1M Bis-Tris, 10% glycerol, 15% PEG3350, 10mM cellotetraose, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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