6TGL
3c-like protease from Southampton virus complexed with FMOPL000644a.
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 | 2016-12-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 62.880, 89.200, 61.180 |
| Unit cell angles | 90.00, 97.08, 90.00 |
Refinement procedure
| Resolution | 25.110 - 1.990 |
| R-factor | 0.173 |
| Rwork | 0.170 |
| R-free | 0.23710 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6t1q |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.544 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.110 | 25.100 | 2.040 |
| High resolution limit [Å] | 1.990 | 8.900 | 1.990 |
| Rmerge | 0.103 | 0.036 | 0.448 |
| Rmeas | 0.123 | 0.043 | 0.540 |
| Rpim | 0.067 | 0.023 | 0.298 |
| Number of reflections | 22739 | 251 | 1682 |
| <I/σ(I)> | 9.3 | 27.8 | 2.8 |
| Completeness [%] | 98.9 | 93.2 | 98.9 |
| Redundancy | 3.3 | 3.5 | 3.1 |
| CC(1/2) | 0.993 | 0.997 | 0.668 |
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. |
