8DJY
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 75.807, 75.807, 119.978 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.290 - 2.500 |
R-factor | 0.2192 |
Rwork | 0.212 |
R-free | 0.28600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6e6v |
RMSD bond length | 0.008 |
RMSD bond angle | 0.864 |
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] | 44.290 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.091 | 1.243 |
Rmeas | 0.093 | |
Number of reflections | 13372 | 732 |
<I/σ(I)> | 20 | 2 |
Completeness [%] | 100.0 | |
Redundancy | 19.1 | |
CC(1/2) | 0.999 | 0.860 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 32% PEG4000, 100 mM Tris, pH 8.35, 200-220 mM sodium acetate |