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8BO8

X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P17

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.2
Synchrotron siteBESSY
Beamline14.2
Temperature [K]100
Detector technologyPIXEL
Collection date2021-07-22
DetectorDECTRIS PILATUS3 2M
Wavelength(s)0.918
Spacegroup nameI 2 2 2
Unit cell lengths101.887, 130.286, 159.702
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.010 - 1.550
R-factor0.20284
Rwork0.202
R-free0.22636
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)5o5t
RMSD bond length0.015
RMSD bond angle1.677
Data reduction softwareXDS (1.02)
Data scaling softwareAimless (0.7.7)
Phasing softwareREFMAC (5.8.0135)
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.640
High resolution limit [Å]1.5501.550
Rmerge0.1022.767
Rpim0.043
Number of reflections15297824349
<I/σ(I)>10.870.54
Completeness [%]99.898.9
Redundancy6.6
CC(1/2)0.9980.449
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP829334% (v/v) pentaerythritol propoxylate PO/OH 5/4 1 % (w/v) PEG 3350 100 mM Tris-HCl, pH 8.0

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