6E6W
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(1H-tetrazol-5-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 74.920, 74.920, 120.010 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.050 - 2.350 |
R-factor | 0.2141 |
Rwork | 0.210 |
R-free | 0.27112 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4awm |
RMSD bond length | 0.015 |
RMSD bond angle | 1.622 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.050 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.089 | 0.426 |
Rmeas | 0.092 | 0.439 |
Rpim | 0.022 | 0.107 |
Number of reflections | 8854 | 831 |
<I/σ(I)> | 25.3 | 7.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 31.4 | 31.1 |
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 |