6E0Q
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-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) | 0.97741 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 75.090, 75.090, 119.670 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.030 - 2.350 |
| R-factor | 0.20584 |
| Rwork | 0.200 |
| R-free | 0.25788 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4awm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.030 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.070 | 0.517 |
| Number of reflections | 8874 | 846 |
| <I/σ(I)> | 40.3 | 8.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 35.1 | 36.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 306 | 0.5 mM inhibitor, 30-32% PEG4000, 100 mM Tris, pH 8.35, 200-220 mM sodium acetate |
