6DCZ
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-15 |
Detector | APEX II CCD |
Wavelength(s) | 1.54178 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 75.840, 75.840, 121.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.890 - 2.890 |
R-factor | 0.20684 |
Rwork | 0.200 |
R-free | 0.27586 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4awm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.277 |
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] | 30.330 | 3.070 |
High resolution limit [Å] | 2.890 | 2.890 |
Rmerge | 0.117 | 0.485 |
Number of reflections | 4826 | 773 |
<I/σ(I)> | 12.5 | 2.5 |
Completeness [%] | 95.7 | 99.8 |
Redundancy | 8.8 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 308 | 25% PEG4000, 100 mM Tris, pH 8.0, 200 mM sodium acetate |