9EXZ
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 | 2024-03-05 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 163.249, 67.825, 173.693 |
| Unit cell angles | 90.00, 103.20, 90.00 |
Refinement procedure
| Resolution | 42.280 - 2.800 |
| R-factor | 0.2389 |
| Rwork | 0.237 |
| R-free | 0.27850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.615 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.18.1_3865) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.072 | 0.692 |
| Rpim | 0.042 | |
| Number of reflections | 45906 | 4577 |
| <I/σ(I)> | 15.63 | 2.78 |
| Completeness [%] | 99.6 | 99.78 |
| Redundancy | 3.6 | 3.6 |
| CC(1/2) | 0.998 | 0.708 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG8000, 0.2 M Calcium acetate hydrate, 0.1 M MES 6.0 |
