6T2X
3C-like protease from Southampton virus complexed with FMOPL000004a.
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 | 62.890, 89.360, 61.440 |
| Unit cell angles | 90.00, 96.73, 90.00 |
Refinement procedure
| Resolution | 20.700 - 1.540 |
| R-factor | 0.1402 |
| Rwork | 0.137 |
| R-free | 0.19750 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6t1q |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.911 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.700 | 1.580 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.050 | 0.889 |
| Rmeas | 0.060 | 1.126 |
| Rpim | 0.033 | 0.678 |
| Number of reflections | 47528 | 3127 |
| <I/σ(I)> | 12.7 | 1.1 |
| Completeness [%] | 95.6 | 85.5 |
| Redundancy | 3.2 | 2.6 |
| CC(1/2) | 0.997 | 0.504 |
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. |
