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 |