6E3P
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-(1H-tetrazol-5-yl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-09-01 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 74.950, 74.950, 120.759 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.250 - 2.800 |
| R-factor | 0.21536 |
| Rwork | 0.206 |
| R-free | 0.30135 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4awm |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.371 |
| Data reduction software | APEX |
| Data scaling software | APEX |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.250 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.098 | 0.419 |
| Number of reflections | 5394 | 521 |
| <I/σ(I)> | 20.59 | 3.79 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 14.11 | 11.21 |
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 |
