6SU4
Crystal structure of the 48C12 heliorhodopsin in the blue form at pH 4.3
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 | 2019-06-22 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.177, 60.744, 92.913 |
| Unit cell angles | 90.00, 92.02, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.1747 |
| Rwork | 0.173 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hyj |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.166 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.810 | 48.810 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.070 | 0.021 | 1.586 |
| Rmeas | 0.081 | 0.025 | 1.846 |
| Rpim | 0.041 | 0.013 | 0.933 |
| Total number of observations | 379765 | 2220 | 17674 |
| Number of reflections | 99767 | 647 | 4713 |
| <I/σ(I)> | 8.9 | 39.6 | 0.7 |
| Completeness [%] | 99.6 | 98.4 | 95 |
| Redundancy | 3.8 | 3.4 | 3.8 |
| CC(1/2) | 0.999 | 0.999 | 0.333 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | The crystals were grown using in meso crystallization technique. Precipitant: 2.4 M AmSO4; pH 4.3 |
