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6TRG

Salmonella typhimurium neuraminidase mutant (D100S)

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 date2001-11-29
DetectorMAR scanner 345 mm plate
Wavelength(s)0.80
Spacegroup nameP 21 21 21
Unit cell lengths47.170, 81.636, 91.148
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.885 - 1.000
Rwork0.101
R-free0.11610
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3sil
RMSD bond length0.020
RMSD bond angle2.381
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareACORN
Refinement softwareREFMAC (5.8.0253)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.8851.020
High resolution limit [Å]1.0001.000
Number of reflections1862308956
<I/σ(I)>152
Completeness [%]98.396
Redundancy53.5
CC(1/2)0.9990.905
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP277Crystals grown by hanging drop vapour diffusion. A 1:1 mixture of 15mg/ml protein solution and an 8:4 mixture of 3.0M K2HPO4 to 1.4M KH2P04 was placed above a well of an 8:6 solution of 3.0M K2HPO4 to 1.4M 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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