9JPE
the DISMED2 domain of RetS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 80.582, 80.582, 51.349 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.300 - 3.500 |
| R-factor | 0.2762 |
| Rwork | 0.271 |
| R-free | 0.32580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3jyb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.948 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_5246) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 4.400 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Number of reflections | 39591 | 19940 |
| <I/σ(I)> | 2.68 | 1.11 |
| Completeness [%] | 97.1 | 97.8 |
| Redundancy | 7.6 | |
| CC(1/2) | 0.917 | 0.640 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.1M BIs-Tris Propane pH 8.5, 0.2 M NaI, 20% peg3350 |
