9PMR
Influenza PA-N Endonuclease I38T mutant with compound 2 ((6M)-6-(2-ethylphenyl)-3,4-dihydroxypyridine-2-carboxylic acid)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-1 |
| Synchrotron site | SSRL |
| Beamline | BL12-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-23 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 75.671, 75.671, 119.472 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.840 - 2.250 |
| R-factor | 0.2126 |
| Rwork | 0.208 |
| R-free | 0.25160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.777 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.840 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 14328 | 1371 |
| <I/σ(I)> | 35.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 38.6 | |
| CC(1/2) | 0.997 | 0.294 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 32% PEG4000 g/mol, 100 mM Tris, pH 8.35, 220 mM sodium acetate |
