9H7X
SmsC2 dimer from M. jannaschii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 31 |
| Unit cell lengths | 84.777, 84.777, 61.232 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 73.420 - 2.525 |
| R-factor | 0.205 |
| Rwork | 0.202 |
| R-free | 0.27690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.890 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.419 | 2.701 |
| High resolution limit [Å] | 2.525 | 2.525 |
| Rmerge | 0.168 | 2.151 |
| Rmeas | 0.177 | 2.274 |
| Rpim | 0.057 | 0.735 |
| Number of reflections | 13066 | 653 |
| <I/σ(I)> | 9.7 | 1.2 |
| Completeness [%] | 91.6 | 49 |
| Redundancy | 9.5 | 9.5 |
| CC(1/2) | 0.997 | 0.490 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0,1M NaCl, 0,1M Bicine, 30% w/v PEG MME 2K |
