6T2I
3C-like protease from Southampton virus complexed with FMOPL000157a.
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 PILATUS3 S 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 62.739, 89.450, 60.907 |
| Unit cell angles | 90.00, 96.92, 90.00 |
Refinement procedure
| Resolution | 51.110 - 1.610 |
| R-factor | 0.1581 |
| Rwork | 0.154 |
| R-free | 0.23780 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6t1q |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.873 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.110 | 1.650 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.054 | 0.756 |
| Rmeas | 0.065 | 0.967 |
| Rpim | 0.036 | 0.596 |
| Number of reflections | 43021 | 3176 |
| <I/σ(I)> | 8.3 | 1.1 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 3.1 | 2.5 |
| CC(1/2) | 0.998 | 0.621 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 293 | 0.2 M ammonium citrate, 12% (v/v) PEG3350. Protein concentration = 4 mg/ml. |
