9DOJ
Influenza A virus polymerase PA subunit endonuclease domain bound to inhibitor Compound 19a
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-20 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.796, 65.736, 66.164 |
| Unit cell angles | 90.00, 115.03, 90.00 |
Refinement procedure
| Resolution | 59.950 - 1.480 |
| R-factor | 0.12485 |
| Rwork | 0.123 |
| R-free | 0.16214 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.909 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.950 | 1.501 |
| High resolution limit [Å] | 1.476 | 1.476 |
| Rmerge | 0.026 | 0.362 |
| Rmeas | 0.037 | 0.494 |
| Rpim | 0.020 | 0.259 |
| Number of reflections | 81810 | 4024 |
| <I/σ(I)> | 12.7 | 2.2 |
| Completeness [%] | 96.7 | 95.9 |
| Redundancy | 3.5 | 3.7 |
| CC(1/2) | 0.998 | 0.858 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | 0.1 M HEPES, pH 7.5, 1.2 M ammonium sulfate, 5% glycerol |
