6SU3
Crystal structure of the 48C12 heliorhodopsin in the violet form at pH 8.8
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 | 2019-04-17 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.115, 59.748, 94.318 |
| Unit cell angles | 90.00, 92.30, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.1555 |
| Rwork | 0.153 |
| R-free | 0.19870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hyj |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.196 |
| 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] | 49.060 | 49.060 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.053 | 0.014 | 1.138 |
| Rmeas | 0.063 | 0.016 | 1.346 |
| Rpim | 0.034 | 0.008 | 0.711 |
| Total number of observations | 338942 | 2187 | 16611 |
| Number of reflections | 98436 | 640 | 4795 |
| <I/σ(I)> | 8.3 | 38.2 | 0.8 |
| Completeness [%] | 98.6 | 97.7 | 97.4 |
| Redundancy | 3.4 | 3.4 | 3.5 |
| CC(1/2) | 0.999 | 1.000 | 0.583 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 2.4M AmSO4 pH 8.8 |
