6HCX
Influenza Virus N9 Neuraminidase A complex with Zanamivir molecule (Tern).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-12-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 180.935, 180.935, 180.935 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.680 - 1.300 |
R-factor | 0.09831 |
Rwork | 0.097 |
R-free | 0.12460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f8e |
RMSD bond length | 0.018 |
RMSD bond angle | 1.954 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.680 | 1.400 |
High resolution limit [Å] | 1.290 | 1.300 |
Rmeas | 0.093 | 0.706 |
Number of reflections | 122689 | 8993 |
<I/σ(I)> | 16.3 | 2.3 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 10 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | N9 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. |