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7AF2

Salmonella typhimurium neuraminidase mutant (D62G)

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-1
Synchrotron siteSSRL
BeamlineBL9-1
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1998-02-27
DetectorMAR scanner 345 mm plate
Wavelength(s)0.79
Spacegroup nameP 21 21 21
Unit cell lengths46.914, 81.357, 91.053
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution18.102 - 0.792
Rwork0.121
R-free0.13190
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3sil
RMSD bond length0.022
RMSD bond angle2.468
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]18.1070.810
High resolution limit [Å]0.7920.792
Rmeas0.0611.572
Number of reflections35579819346
<I/σ(I)>23.610.88
Completeness [%]94.770.1
Redundancy3.21.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP277Crystals grown by hanging drop vapour diffusion. A 1:1 mixture of protein solution and an 8:4 mixture of K2HPO4 to KH2PO4 was placed above a well of an 8:6 solution of K2HPO4 to KH2PO4. Then serially cryoprotected in situ to 40% glycerol (v/v with mother liquor) in 10% increments over a period of a few minutes.

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