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7PSK

Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor GR109

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2019-12-15
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.911880
Spacegroup nameI 1 2 1
Unit cell lengths82.889, 44.573, 136.897
Unit cell angles90.00, 97.60, 90.00
Refinement procedure
Resolution42.383 - 1.090
Rwork0.172
R-free0.18490
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5g0m
RMSD bond length0.019
RMSD bond angle1.991
Data reduction softwareDIALS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]67.8501.110
High resolution limit [Å]1.0901.090
Number of reflections2010689095
<I/σ(I)>7.9
Completeness [%]97.6
Redundancy3.8
CC(1/2)0.9940.803
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2930.5 M AmSO4 1 M LiSO4 0.1 M Trisodium Citrate

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