9FXX
Influenza polymerase A C-terminal domain of PA subunit with stapled peptide inhibitor
This is a non-PDB format compatible entry.
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 | 2019-09-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.91840 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.019, 118.797, 123.848 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.900 - 2.160 |
| R-factor | 0.22215 |
| Rwork | 0.219 |
| R-free | 0.27683 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.442 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 10.000 | 2.290 |
| High resolution limit [Å] | 2.160 | 6.410 | 2.160 |
| Rmerge | 0.126 | 0.027 | 3.061 |
| Rmeas | 0.126 | 0.028 | 3.180 |
| Number of reflections | 30962 | 1318 | 4907 |
| <I/σ(I)> | 15.83 | ||
| Completeness [%] | 99.9 | ||
| Redundancy | 13.12 | ||
| CC(1/2) | 0.999 | 1.000 | 0.440 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | 0.1 M MOPS/HEPES; 15% PEG 3350 |
