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8EUD

Co-crystal structure of Chaetomium glucosidase with compound 22

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-B
Synchrotron siteAPS
Beamline23-ID-B
Temperature [K]100
Detector technologyPIXEL
Collection date2021-10-04
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.033
Spacegroup nameI 2 2 2
Unit cell lengths135.026, 178.123, 179.512
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.660 - 2.370
R-factor0.1802
Rwork0.178
R-free0.22980
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)7t6w
RMSD bond length0.009
RMSD bond angle1.696
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]46.6602.460
High resolution limit [Å]2.3702.370
Rmerge0.1290.515
Rpim0.0380.146
Number of reflections867528488
<I/σ(I)>15.353.5
Completeness [%]99.498.08
Redundancy12.813
CC(1/2)0.9970.956
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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