8S0N
Crystal structure of the TMPRSS2 zymogen in complex with the nanobody A07
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978565 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.869, 54.458, 165.822 |
| Unit cell angles | 90.00, 108.39, 90.00 |
Refinement procedure
| Resolution | 24.420 - 2.300 |
| R-factor | 0.2126 |
| Rwork | 0.211 |
| R-free | 0.24580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.841 |
| Data reduction software | XDS (0.6.6.0) |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.390 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.240 | 2.236 |
| Rmeas | 0.259 | 2.417 |
| Rpim | 0.097 | 0.912 |
| Number of reflections | 50880 | 2545 |
| <I/σ(I)> | 6.6 | 0.9 |
| Completeness [%] | 95.0 | 39.4 |
| Redundancy | 7 | 6.9 |
| CC(1/2) | 0.990 | 0.316 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 10 %w/v PEG 3000, 0.1 M imidazole (pH 8.0), 0.2 M lithium sulfate |
