5I13
Endonuclease inhibitor 2 bound to influenza strain H1N1 polymerase acidic subunit N-terminal region at pH 7.0
Replaces: 5FDEExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-05 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9800 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 66.580, 66.580, 128.314 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.956 - 2.151 |
R-factor | 0.2078 |
Rwork | 0.206 |
R-free | 0.23280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zqq |
RMSD bond length | 0.008 |
RMSD bond angle | 0.985 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP (11.0.05) |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.074 | 1.034 |
Number of reflections | 16066 | |
<I/σ(I)> | 12.2 | |
Completeness [%] | 98.0 | 99.4 |
Redundancy | 9 | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 291 | Crystals were grown with the reservoir containing 100 mM MES, 1.1 M ammonium sulfate, 0.1 M potassium chloride and 9 % trehalose at pH 5.8. Crystal was then soaked with the ligand solution at pH 7.0. |