9GF9
S-Protease complexed with stapled peptide-like ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-23 |
| Detector | DECTRIS EIGER2 R 1M |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.232, 44.358, 93.694 |
| Unit cell angles | 88.19, 87.80, 67.11 |
Refinement procedure
| Resolution | 25.120 - 1.760 |
| R-factor | 0.2054 |
| Rwork | 0.203 |
| R-free | 0.25180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | CrysalisPro (v171.42) |
| Data scaling software | CrysalisPro (v171.42) |
| Phasing software | PHASER (v2.8.3) |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.120 | 1.860 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.059 | 0.397 |
| Number of reflections | 62030 | 8789 |
| <I/σ(I)> | 8.3 | |
| Completeness [%] | 95.5 | |
| Redundancy | 2.01 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 32.5% PEG4000, 0.2M Li2SO4 |
