4GZP
N2 Neuraminidase of A/Tanzania/205/2010 H3N2 in complex with oseltamivir carboxylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-05-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 110.123, 110.123, 78.274 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.250 - 2.300 |
| R-factor | 0.21517 |
| Rwork | 0.212 |
| R-free | 0.27537 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gzo |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.512 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.110 | 0.259 |
| Number of reflections | 20518 | |
| <I/σ(I)> | 25.8 | 5.8 |
| Completeness [%] | 92.9 | 70.5 |
| Redundancy | 9.6 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 295 | 0.1 M Hepes, 17-25% PEG 8000, pH 7.5, VAPOR DIFFUSION, temperature 295K |
