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5GM9

Crystal structure of a glycoside hydrolase in complex with cellobiose

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL15A1
Synchrotron siteNSRRC
BeamlineBL15A1
Temperature [K]100
Detector technologyCCD
Collection date2016-03-16
DetectorRAYONIX MX300HE
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths46.337, 54.315, 84.848
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution25.000 - 1.360
R-factor0.1426
Rwork0.141
R-free0.16430
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1oa7
RMSD bond length0.016
RMSD bond angle1.602
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0123)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]25.00025.0001.410
High resolution limit [Å]1.3602.9311.360
Rmerge0.0350.0280.104
Number of reflections46675
<I/σ(I)>27.2
Completeness [%]99.999.399.7
Redundancy10.810.210.7
CC(1/2)0.9990.996
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.5298MgCl2, Tris-Cl, PEG4000

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