2HU0
N1 neuraminidase in complex with oseltamivir 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-03-03 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 198.083, 200.576, 210.417 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 142.860 - 2.950 |
R-factor | 0.22136 |
Rwork | 0.218 |
R-free | 0.29530 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.023 |
RMSD bond angle | 2.283 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | CrystalClear ((MSC/RIGAKU)) |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 2.950 |
Number of reflections | 70678 |
Completeness [%] | 79.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | MES, PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |