3B7E
Neuraminidase of A/Brevig Mission/1/1918 H1N1 strain in complex with zanamivir
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 | 2007-03-15 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97945 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.044, 129.247, 118.845 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.710 - 1.450 |
| R-factor | 0.14114 |
| Rwork | 0.140 |
| R-free | 0.16015 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hty |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.441 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.490 |
| High resolution limit [Å] | 1.450 | 3.320 | 1.450 |
| Rmerge | 0.096 | 0.050 | 0.527 |
| Number of reflections | 155978 | ||
| <I/σ(I)> | 8.5 | ||
| Completeness [%] | 97.6 | 99.7 | 86.3 |
| Redundancy | 6.8 | 7.2 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 295 | 20% PEG3000, pH 7.30, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
