4GZT
N2 neuraminidase D151G mutant 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) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.244, 110.194, 109.847 |
| Unit cell angles | 90.00, 98.27, 90.00 |
Refinement procedure
| Resolution | 49.140 - 2.190 |
| R-factor | 0.193 |
| Rwork | 0.190 |
| R-free | 0.25990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gzo |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.038 |
| 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 | 2.250 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.074 | 0.232 |
| Number of reflections | 88129 | |
| <I/σ(I)> | 16.2 | 3.7 |
| Completeness [%] | 90.1 | 67.9 |
| Redundancy | 3.5 | 3.1 |
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 |
