7E6Q
Crystal structure of influenza A virus neuraminidase N5 complexed with 4'-phenyl-1,2,3-triazolylated oseltamivir carboxylate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97919 |
Spacegroup name | P 4 |
Unit cell lengths | 109.064, 109.064, 71.149 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.370 - 2.200 |
R-factor | 0.2085 |
Rwork | 0.207 |
R-free | 0.23610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3san |
RMSD bond length | 0.009 |
RMSD bond angle | 1.215 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.083 | 0.235 |
Number of reflections | 42631 | 40762 |
<I/σ(I)> | 21.1 | |
Completeness [%] | 95.6 | |
Redundancy | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1M HEPES (pH 7.5), 12% w/v Polyethylene glycol 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 291K |