4DGR
Influenza Subtype 9 Neuraminidase Benzoic Acid Inhibitor Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97946 |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 180.969, 180.969, 180.969 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.614 - 1.551 |
| R-factor | 0.1226 |
| Rwork | 0.121 |
| R-free | 0.15180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qwa |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.334 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | PHENIX ((phenix.refine: dev_943)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.614 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.067 | 0.767 |
| <I/σ(I)> | 29.4 | 3.8 |
| Completeness [%] | 94.8 | 99.1 |
| Redundancy | 24.7 | 17.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 298 | 1.9 M phosphate buffer, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
