6T4E
Native C3-like protease from Southampton virus complexed with FMOPL000287a.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 62.910, 89.560, 61.370 |
| Unit cell angles | 90.00, 96.64, 90.00 |
Refinement procedure
| Resolution | 25.620 - 1.660 |
| R-factor | 0.1408 |
| Rwork | 0.137 |
| R-free | 0.21130 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.894 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.620 | 25.620 | 1.700 |
| High resolution limit [Å] | 1.660 | 7.420 | 1.660 |
| Rmerge | 0.067 | 0.022 | 0.848 |
| Rmeas | 0.079 | 0.026 | 1.053 |
| Rpim | 0.043 | 0.014 | 0.613 |
| Total number of observations | 128715 | ||
| Number of reflections | 38595 | 449 | 2774 |
| <I/σ(I)> | 12.4 | 1.3 | |
| Completeness [%] | 97.1 | 95.3 | 95.9 |
| Redundancy | 3.3 | 3.4 | 2.9 |
| CC(1/2) | 0.998 | 0.998 | 0.425 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 294 | Protein concentration 4 mg/ml. 0.2 M ammonium citrate and 12% (v/v) PEG3350. |
