6E3M
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 75.459, 75.459, 120.567 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.350 - 2.650 |
R-factor | 0.19831 |
Rwork | 0.192 |
R-free | 0.26436 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.416 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.350 | 2.780 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.058 | 0.665 |
Rmeas | 0.060 | 0.696 |
Rpim | 0.018 | 0.205 |
Number of reflections | 6352 | 803 |
<I/σ(I)> | 40 | 4.9 |
Completeness [%] | 99.8 | 98.9 |
Redundancy | 20.4 | 20.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 306 | 30% PEG4000, 100 mM Tris, pH 8.35, 200-220 mM sodium acetate |