8DDB
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinic acid
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 PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 76.228, 76.228, 121.608 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 58.020 - 2.150 |
R-factor | 0.1971 |
Rwork | 0.192 |
R-free | 0.24060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6e6v |
RMSD bond length | 0.003 |
RMSD bond angle | 0.511 |
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] | 66.050 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.070 | 1.288 |
Rmeas | 0.071 | 1.314 |
Rpim | 0.015 | 0.400 |
Number of reflections | 21524 | 1158 |
<I/σ(I)> | 25.6 | 2.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 25 | |
CC(1/2) | 0.999 | 0.876 |
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 |