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7ZIN

JC Polyomavirus VP1 in complex with 6'-Sialyllactose glycomacromolecules (aliphatic linker)

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06DA
Synchrotron siteSLS
BeamlineX06DA
Temperature [K]93
Detector technologyPIXEL
Collection date2021-12-12
DetectorDECTRIS PILATUS 2M-F
Wavelength(s)0.99
Spacegroup nameC 1 2 1
Unit cell lengths150.132, 96.692, 128.449
Unit cell angles90.00, 110.63, 90.00
Refinement procedure
Resolution44.855 - 1.648
Rwork0.166
R-free0.19140
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3nxd
RMSD bond length0.009
RMSD bond angle1.535
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.0001.750
High resolution limit [Å]1.6481.650
Rmeas0.1501.410
Number of reflections20434632369
<I/σ(I)>10.691.31
Completeness [%]98.8
Redundancy6.85
CC(1/2)0.9900.590
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2930.1 M HEPES pH 7.5, 0.2 M KSCN, 12% (w/v) PEG 3350

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