3K36
Crystal Structure of B/Perth Neuraminidase
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 | 2007-11-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.95361 |
| Spacegroup name | I 4 |
| Unit cell lengths | 87.640, 87.640, 197.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 98.530 - 2.200 |
| R-factor | 0.18511 |
| Rwork | 0.182 |
| R-free | 0.23929 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7nn9 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.560 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.320 | |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.122 | 0.438 |
| Number of reflections | 34306 | |
| <I/σ(I)> | 11.6 | 2.7 |
| Completeness [%] | 91.5 | 77.6 |
| Redundancy | 4.5 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 281.15 | 0.2M Na2SO4, 20% w/v PEG3350, 0.1M bis-Tris propane, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 281.15K |
