Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-02 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.766, 71.817, 72.026 |
| Unit cell angles | 90.00, 99.97, 90.00 |
Refinement procedure
| Resolution | 23.650 - 1.800 |
| R-factor | 0.1772 |
| Rwork | 0.176 |
| R-free | 0.20030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.994 |
| Data reduction software | CrysalisPro |
| Data scaling software | SHELXPREP |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0091) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.650 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.052 | 0.245 |
| Rmeas | 0.056 | 0.295 |
| Number of reflections | 32428 | 4358 |
| <I/σ(I)> | 25.92 | 3.5 |
| Completeness [%] | 99.7 | |
| Redundancy | 5.11 | |
| CC(1/2) | 0.999 | 0.948 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.02M phosphate buffer at pH 7.5, 27% PEG 8000 and 100mM sodium chloride. Thrombin seeds were added to the final drop |
