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8RDX

PGGtase I in complex with probe BAY-6092

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, DESY BEAMLINE P11
Synchrotron sitePETRA III, DESY
BeamlineP11
Temperature [K]100
Detector technologyPIXEL
Collection date2018-05-03
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.033200
Spacegroup nameC 1 2 1
Unit cell lengths270.891, 269.263, 185.248
Unit cell angles90.00, 131.77, 90.00
Refinement procedure
Resolution48.210 - 3.670
R-factor0.13817
Rwork0.137
R-free0.18907
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.722
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.2103.890
High resolution limit [Å]3.6703.670
Number of reflections10540215220
<I/σ(I)>20.645.8
Completeness [%]97.4
Redundancy3.86
CC(1/2)0.9990.955
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2931.2 M K-Na-tartrate, 100 mM (NH4)2SO4, 100 mM MES pH 6.5

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