5EU8
Structure of FIPV main protease in complex with dual inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97923 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 112.261, 112.261, 102.102 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.938 - 2.447 |
| R-factor | 0.2131 |
| Rwork | 0.211 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2amp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.171 |
| Data reduction software | SCALEPACK |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.940 | 2.535 |
| High resolution limit [Å] | 2.447 | 2.447 |
| Rmerge | 0.070 | |
| Number of reflections | 12082 | |
| <I/σ(I)> | 31.15 | 8.6 |
| Completeness [%] | 97.8 | 99.09 |
| Redundancy | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.2 M zinc acetate dihydrate, 0.1 M sodium cacodylate trihydrate, 14%(w/v) polyethylene glycol 8000 |
