5KV9
Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 80.098, 107.373, 94.492 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.874 - 2.000 |
| R-factor | 0.1639 |
| Rwork | 0.162 |
| R-free | 0.20550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xjq |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.286 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER (2.5.5) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.050 | 40.050 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.061 | 0.025 | 0.259 |
| Rmeas | 0.070 | 0.029 | 0.303 |
| Rpim | 0.033 | 0.014 | 0.152 |
| Total number of observations | 98693 | 1131 | 4970 |
| Number of reflections | 24135 | ||
| <I/σ(I)> | 17.8 | 40.8 | 5.2 |
| Completeness [%] | 87.2 | 78.9 | 76.3 |
| Redundancy | 4.1 | 4.1 | 3.2 |
| CC(1/2) | 0.998 | 0.999 | 0.907 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293.15 | 0.1 M citrate buffer, 0.2 M ammonium sulfate, 20 % PEG 3000 |
