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8ETO

Co-crystal structure of Chaetomium glucosidase with compound 25

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-D
Synchrotron siteAPS
Beamline23-ID-D
Temperature [K]100
Detector technologyPIXEL
Collection date2021-03-14
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.9793
Spacegroup nameI 2 2 2
Unit cell lengths136.248, 179.088, 180.444
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.920 - 2.300
R-factor0.1902
Rwork0.188
R-free0.23450
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)7t6w
RMSD bond length0.007
RMSD bond angle1.637
Data reduction softwareHKL-2000 (v717.1)
Data scaling softwareHKL-2000 (v717.1)
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.9202.386
High resolution limit [Å]2.3002.300
Rmerge0.1251.303
Rpim0.0530.592
Number of reflections972139535
<I/σ(I)>10.081.15
Completeness [%]99.898.82
Redundancy6.55.7
CC(1/2)0.9970.566
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52970.1 Bis Tris pH 6.5, 1.6-2.0 M Ammonium sulfate

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