8SD4
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97930 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 162.855, 162.855, 162.855 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.060 - 3.110 |
| R-factor | 0.20716 |
| Rwork | 0.206 |
| R-free | 0.23251 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.181 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.060 | 3.160 |
| High resolution limit [Å] | 3.110 | 3.110 |
| Rpim | 0.040 | 0.390 |
| Number of reflections | 13113 | 632 |
| <I/σ(I)> | 23.5 | 1 |
| Completeness [%] | 100.0 | |
| Redundancy | 35.8 | |
| CC(1/2) | 0.988 | 0.519 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 0.2 M lithium nitrate and 20% (w/v) PEG3350 |
