5T6S
Crystal structure of the A/Shanghai/2/2013 (H7N9) influenza virus hemagglutinin in complex with the antiviral drug arbidol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-01-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.419, 231.490, 127.850 |
| Unit cell angles | 90.00, 96.88, 90.00 |
Refinement procedure
| Resolution | 48.500 - 2.360 |
| R-factor | 0.2062 |
| Rwork | 0.204 |
| R-free | 0.24960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ln6 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.780 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.500 | 2.410 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.090 | 0.450 |
| Number of reflections | 154529 | |
| <I/σ(I)> | 1.4 | |
| Completeness [%] | 97.6 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 17-20% PEG3350, 0.2 M ammonium acetate |
