6E6X
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 1-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxy-2-methylpyridin-4(1H)-one
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 | 75.340, 75.340, 120.610 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.290 - 2.500 |
R-factor | 0.21045 |
Rwork | 0.206 |
R-free | 0.26493 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4awm |
RMSD bond length | 0.016 |
RMSD bond angle | 1.589 |
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] | 44.290 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.095 | 0.463 |
Rmeas | 0.100 | 0.487 |
Rpim | 0.032 | 0.150 |
Number of reflections | 7520 | 809 |
<I/σ(I)> | 19.2 | 5.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 17.5 | 19.4 |
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 |