8S89
Efficient and scalable protein design using a relaxed sequence space
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 | 2023-10-01 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.596, 62.591, 80.269 |
| Unit cell angles | 90.00, 97.35, 90.00 |
Refinement procedure
| Resolution | 43.240 - 2.100 |
| R-factor | 0.2082 |
| Rwork | 0.206 |
| R-free | 0.24260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.207 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.1_3865) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.103 | 0.679 |
| Rpim | 0.046 | 0.308 |
| Number of reflections | 25154 | 2518 |
| <I/σ(I)> | 11.66 | 2.5 |
| Completeness [%] | 99.9 | 99.84 |
| Redundancy | 6.1 | 5.8 |
| CC(1/2) | 0.996 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 mmol magnesium sulfate, 28-32% PEG4000, 0.1 M TRIS pH 8.5-9.3 |
