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9I4F

Blood Type B-converting alpha-1,3-galactosidase PpaGal from Pedobacter panaciterrae in its apo form

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron sitePETRA III, EMBL c/o DESY
BeamlineP13 (MX1)
Temperature [K]100
Detector technologyPIXEL
Collection date2024-11-30
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.97626
Spacegroup nameP 1 21 1
Unit cell lengths107.130, 129.026, 108.296
Unit cell angles90.00, 90.18, 90.00
Refinement procedure
Resolution107.130 - 2.750
Rwork0.251
R-free0.28540
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.013
RMSD bond angle1.960
Data reduction softwareXDS (BUILT 20230630)
Data scaling softwareXDS (BUILT 20230630)
Phasing softwarePHASER (2.8.3)
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]107.130107.1302.797
High resolution limit [Å]2.7507.4622.750
Rmeas0.1920.0600.785
Rpim0.0940.0300.407
Number of reflections7378539023796
<I/σ(I)>613.42
Completeness [%]96.398.9100
Redundancy43.93.6
CC(1/2)0.9940.9980.865
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.42930.2 M lithium citrate, 20% PEG 3350

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