3TI3
Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with laninamivir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-06 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 118.260, 137.089, 118.482 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.599 - 1.800 |
R-factor | 0.1948 |
Rwork | 0.194 |
R-free | 0.21350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nss |
RMSD bond length | 0.004 |
RMSD bond angle | 0.935 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 89057 | |
Completeness [%] | 99.9 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.16M calcium acetate hydrate, 0.08M sodium cacodylate trihydrate, 14.4% polyethylene glycol 8000, 20% glycerol , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |