5FDD
Endonuclease inhibitor 1 bound to influenza strain H1N1 polymerase acidic subunit N-terminal region at pH 7.0
Experimental 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) | 0.98 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 66.397, 66.397, 127.392 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.793 - 2.506 |
| R-factor | 0.2024 |
| Rwork | 0.201 |
| R-free | 0.23180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zqq |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.794 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (phenix.refine: 1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.152 | 0.089 | 1.195 |
| Rmeas | 0.160 | 0.094 | 1.270 |
| Rpim | 0.047 | 0.030 | 0.422 |
| Total number of observations | 117975 | ||
| Number of reflections | 10401 | ||
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 99.9 | 99.2 | 100 |
| Redundancy | 11.3 | 9.3 | 8.8 |
| CC(1/2) | 0.995 | 0.807 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 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. |
