5NZE
Complex of S247N mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-30 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 118.670, 136.590, 119.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.600 - 1.690 |
R-factor | 0.1876 |
Rwork | 0.187 |
R-free | 0.21320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ti6 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.802 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.600 | 1.730 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.089 | 0.712 |
Rmeas | 0.094 | 0.700 |
Number of reflections | 101435 | 6625 |
<I/σ(I)> | 11.6 | 2 |
Completeness [%] | 93.9 | 83.2 |
Redundancy | 4.8 | 3.61 |
CC(1/2) | 0.996 | 0.821 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1 M HEPES pH 6.7, 8.5% PEG 8000 |