5WEF
Crystal structure of the influenza virus PA endonuclease (F105S mutant) in complex with inhibitor 7a (SRI-29770)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-27 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 73.878, 73.878, 127.282 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.475 - 2.000 |
| R-factor | 0.1957 |
| Rwork | 0.194 |
| R-free | 0.22690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.336 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 1.990 | 4.310 | 2.000 |
| Rmerge | 0.091 | 0.050 | |
| Rmeas | 0.094 | 0.052 | |
| Rpim | 0.026 | 0.014 | 0.332 |
| Number of reflections | 14725 | ||
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 99.9 | 99.5 | 100 |
| Redundancy | 13.8 | 12.9 | 13.7 |
| CC(1/2) | 0.999 | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1 M Tris pH 8.5, 30% PEG 4000, 0.2 M MgCl2, 2 mM MnCl2 |
