8T94
Influenza PAN endonuclease with 6-(4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-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 | 2023-04-23 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 75.986, 75.986, 120.791 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 65.810 - 2.110 |
R-factor | 0.2271 |
Rwork | 0.224 |
R-free | 0.25750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.112 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.810 | 2.160 |
High resolution limit [Å] | 2.110 | 2.110 |
Number of reflections | 19776 | 1253 |
<I/σ(I)> | 18 | |
Completeness [%] | 100.0 | |
Redundancy | 23.2 | |
CC(1/2) | 1.000 | 0.365 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 306 | 32% PEG (MW 4000 g/mol), 100 mM Tris (pH 8.35), and 220 mM sodium acetate |