6T3G
3C-like protease from Southampton virus complexed with FMOPL000324a.
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 | 62.530, 88.860, 60.570 |
| Unit cell angles | 90.00, 96.65, 90.00 |
Refinement procedure
| Resolution | 60.160 - 1.630 |
| R-factor | 0.1337 |
| Rwork | 0.130 |
| R-free | 0.20070 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6t1q |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.714 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.160 | 60.160 | 1.670 |
| High resolution limit [Å] | 1.630 | 7.290 | 1.630 |
| Rmerge | 0.054 | 0.025 | 0.716 |
| Rmeas | 0.064 | 0.030 | 0.878 |
| Rpim | 0.035 | 0.016 | 0.501 |
| Total number of observations | 133170 | ||
| Number of reflections | 40339 | 456 | 2992 |
| <I/σ(I)> | 12.5 | 3.1 | |
| Completeness [%] | 98.5 | 92.6 | 99.3 |
| Redundancy | 3.3 | 3.3 | 3 |
| CC(1/2) | 0.998 | 0.999 | 0.534 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 294 | 0.2 M ammonium citrate, 12% (v/v) PEG3350. Protein concentration of 5 or 10 mg/ml. |
