8PUP
Influenza A/California/07/2009(H1N1) endonuclease in complex with purpurogallin-like compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 73.950, 73.950, 126.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.020 - 2.000 |
| R-factor | 0.21831 |
| Rwork | 0.216 |
| R-free | 0.26548 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.271 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.050 |
| High resolution limit [Å] | 1.930 | 5.750 | 1.930 |
| Rmerge | 0.098 | 0.030 | 2.167 |
| Rmeas | 0.101 | 0.031 | 2.331 |
| Number of reflections | 28879 | 1112 | 4494 |
| <I/σ(I)> | 19.85 | ||
| Completeness [%] | 99.0 | ||
| Redundancy | 17.2 | ||
| CC(1/2) | 1.000 | 1.000 | 0.296 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | MDP, PEG 1000, PEG 3350, Sodium HEPES, MOPS (acid), Magnesium chloride, Calcium chloride |
