8DJV
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-08-20 |
Detector | APEX II CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 74.465, 74.465, 120.259 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.230 - 2.080 |
R-factor | 0.2654 |
Rwork | 0.263 |
R-free | 0.29100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6e6v |
RMSD bond length | 0.010 |
RMSD bond angle | 1.208 |
Data reduction software | APEX 2 |
Data scaling software | APEX 2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.240 | 2.150 |
High resolution limit [Å] | 2.080 | 2.080 |
Rmerge | 0.100 | 0.775 |
Rmeas | 0.103 | 0.815 |
Rpim | 0.023 | |
Number of reflections | 22176 | 1077 |
<I/σ(I)> | 13 | 2.3 |
Completeness [%] | 99.1 | |
Redundancy | 17.7 | |
CC(1/2) | 0.999 | 0.723 |
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 |