6DCY
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 75.540, 75.540, 120.360 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.770 - 2.080 |
| R-factor | 0.22714 |
| Rwork | 0.225 |
| R-free | 0.27140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4awm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.425 |
| 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] | 37.770 | 2.140 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.083 | 0.786 |
| Number of reflections | 12849 | 974 |
| <I/σ(I)> | 19.1 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 16.9 | 18.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 306 | 0.5 mM inhibitor, 25-40% PEG4000, 100 mM Tris, pH 8.35, 200-220 mM sodium acetate |
