3CL2
N1 Neuraminidase N294S + Oseltamivir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-01-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 6 |
Unit cell lengths | 290.649, 290.649, 133.293 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.853 - 2.538 |
R-factor | 0.24 |
Rwork | 0.239 |
R-free | 0.26300 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.276 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.800 | 2.700 |
High resolution limit [Å] | 2.540 | 2.600 |
Number of reflections | 190670 | |
Completeness [%] | 91.9 | 88.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 15% PEG3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |