9LLR
The designed collagen heterotrimer peptides with various stabilizing side chain pairs
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-05 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9393 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.534, 25.742, 59.077 |
| Unit cell angles | 90.00, 102.46, 90.00 |
Refinement procedure
| Resolution | 23.508 - 1.454 |
| R-factor | 0.1716 |
| Rwork | 0.170 |
| R-free | 0.20920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.703 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.510 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.075 | 0.075 |
| Number of reflections | 27562 | 27562 |
| <I/σ(I)> | 45.86 | |
| Completeness [%] | 95.6 | |
| Redundancy | 11.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2M Ammonium formate 20% PEG 3350 |
