4PT5
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 | 2013-12-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.820, 47.260, 88.770 |
| Unit cell angles | 90.00, 121.60, 90.00 |
Refinement procedure
| Resolution | 19.880 - 2.590 |
| R-factor | 0.23197 |
| Rwork | 0.229 |
| R-free | 0.29949 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fe8 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.872 |
| Data reduction software | iMOSFLM |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.880 | 20.000 | 2.740 |
| High resolution limit [Å] | 2.590 | 3.840 | 2.590 |
| Rmerge | 0.078 | 0.040 | 1.060 |
| Number of reflections | 11005 | ||
| <I/σ(I)> | 8.8 | 20 | 1.05 |
| Completeness [%] | 93.7 | 90 | 92.1 |
| Redundancy | 2.8 | 3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 1.0 M sodium citrate, 0.1 M cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
