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6HCX

Influenza Virus N9 Neuraminidase A complex with Zanamivir molecule (Tern).

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL11-1
Synchrotron siteSSRL
BeamlineBL11-1
Temperature [K]100
Detector technologyCCD
Collection date2001-12-12
DetectorADSC QUANTUM 315
Wavelength(s)0.98
Spacegroup nameI 4 3 2
Unit cell lengths180.935, 180.935, 180.935
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.680 - 1.300
R-factor0.09831
Rwork0.097
R-free0.12460
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1f8e
RMSD bond length0.018
RMSD bond angle1.954
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0230)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]42.6801.400
High resolution limit [Å]1.2901.300
Rmeas0.0930.706
Number of reflections1226898993
<I/σ(I)>16.32.3
Completeness [%]99.999.5
Redundancy106.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.6293N9 crystals were grown by hanging-drop vapour diffusion against a reservoir of 1.9M potassium phosphate, pH 6.8, starting with equal volumes of N9 NA (10-15 mg/ml in water) and potassium phosphate buffer 1.4M KH2PO4:3M K2HPO4 in ratio 8:4, pH 6.6 at 20 degrees celsius. Inhibitor complexes obtained by soaking N9 crystals in a solution of 1.4M potassium phosphate buffer, pH 6.8, containing 5mM of inhibitor for 3 hours at 18 degrees celsius. Soaked in glycerol cryo-buffer.

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