6E0Q
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-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) | 0.97741 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 75.090, 75.090, 119.670 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.030 - 2.350 |
R-factor | 0.20584 |
Rwork | 0.200 |
R-free | 0.25788 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4awm |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.030 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.070 | 0.517 |
Number of reflections | 8874 | 846 |
<I/σ(I)> | 40.3 | 8.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 35.1 | 36.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 306 | 0.5 mM inhibitor, 30-32% PEG4000, 100 mM Tris, pH 8.35, 200-220 mM sodium acetate |