6E4C
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 75.164, 75.164, 120.628 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.280 - 2.350 |
| R-factor | 0.20041 |
| Rwork | 0.195 |
| R-free | 0.26027 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4awm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.348 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.280 | 2.440 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.034 | 0.456 |
| Rmeas | 0.035 | 0.475 |
| Rpim | 0.010 | 0.130 |
| Number of reflections | 8894 | 831 |
| <I/σ(I)> | 62.6 | 7.5 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 23.3 | 24.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 306 | 30% PEG4000, 100 mM Tris, pH 8.35, 200-220 mM sodium acetate |
