5KO3
Structure of a Core Papain-like Protease of MERS Coronavirus with utility for structure-based drug design
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 83.705, 30.549, 86.717 |
| Unit cell angles | 90.00, 116.25, 90.00 |
Refinement procedure
| Resolution | 43.205 - 1.949 |
| R-factor | 0.1679 |
| Rwork | 0.167 |
| R-free | 0.18860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p16 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.284 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 100.000 |
| High resolution limit [Å] | 1.949 |
| Number of reflections | 29405 |
| <I/σ(I)> | 26 |
| Completeness [%] | 98.8 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.1 M Tris-HCl, pH 8.5, 5.5 M Ammonium acetate, vapor diffusion, sitting drop, 277K |
