8SD2
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4
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 | 2020-02-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.03317 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 166.638, 166.638, 166.638 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.580 - 2.810 |
| R-factor | 0.21946 |
| Rwork | 0.217 |
| R-free | 0.26126 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.397 |
| 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] | 44.580 | 2.870 |
| High resolution limit [Å] | 2.810 | 2.810 |
| Rpim | 0.020 | 0.450 |
| Number of reflections | 18876 | 958 |
| <I/σ(I)> | 39 | 0.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 35.2 | |
| CC(1/2) | 0.981 | 0.570 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 277 | 1 M lithium chloride, 0.1 M MES, pH 6, 20% wt/vol PEG6000 |
