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9FDI

Gcase in complex with small molecule inhibitor 1

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06DA
Synchrotron siteSLS
BeamlineX06DA
Temperature [K]100
Detector technologyPIXEL
Collection date2018-09-10
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.00001
Spacegroup nameP 1 21 1
Unit cell lengths52.792, 74.768, 68.609
Unit cell angles90.00, 102.69, 90.00
Refinement procedure
Resolution49.920 - 1.410
R-factor0.15806
Rwork0.157
R-free0.18319
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.010
RMSD bond angle1.527
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0232)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.9201.530
High resolution limit [Å]1.4101.410
Rmeas0.0630.676
Number of reflections751803759
<I/σ(I)>8.21.8
Completeness [%]86.134.7
Redundancy3.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2930.35M KSCN 28% PEG 3350

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