3K37
Crystal Structure of B/Perth Neuraminidase in complex with Peramivir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-13 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95364 |
| Spacegroup name | I 4 |
| Unit cell lengths | 88.645, 88.645, 207.523 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.760 - 2.000 |
| R-factor | 0.17462 |
| Rwork | 0.171 |
| R-free | 0.23732 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k36 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.625 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.760 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.128 | 0.335 |
| Number of reflections | 47163 | |
| <I/σ(I)> | 10.1 | 3.8 |
| Completeness [%] | 87.6 | 90.9 |
| Redundancy | 4.6 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 281.15 | 0.2M NaNO3, 20% w/v PEG3350, 0.1M bis-tris propane, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 281.15K |
