4RNA
Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus
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 | 2014-10-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 98.899, 48.780, 87.464 |
| Unit cell angles | 90.00, 121.52, 90.00 |
Refinement procedure
| Resolution | 19.731 - 1.794 |
| R-factor | 0.1912 |
| Rwork | 0.189 |
| R-free | 0.24080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pt5 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.209 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.731 | 19.731 | 1.890 |
| High resolution limit [Å] | 1.794 | 5.670 | 1.794 |
| Rmerge | 0.079 | 0.041 | 1.348 |
| Number of reflections | 33172 | ||
| <I/σ(I)> | 6.714 | 15.3 | 0.6 |
| Completeness [%] | 98.7 | 97.3 | 94.1 |
| Redundancy | 5 | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 0.056 M sodium phosphate monobasic monohydrate, 1.344 M potassium phosphate, pH 8.0, 20% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
