6G7I
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 49-406 fs state structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE CXI |
| Synchrotron site | SLAC LCLS |
| Beamline | CXI |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2017-06-30 |
| Detector | CS-PAD CXI-1 |
| Wavelength(s) | 1.3 |
| Spacegroup name | P 63 |
| Unit cell lengths | 62.320, 62.320, 111.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.517 - 1.900 |
| R-factor | 0.1762 |
| Rwork | 0.173 |
| R-free | 0.23050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5j7a |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.096 |
| Data reduction software | CrystFEL (0.6.3) |
| Data scaling software | CrystFEL (0.6.3) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.355 | 1.990 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 18848 | |
| <I/σ(I)> | 9.47 | |
| Completeness [%] | 97.9 | |
| Redundancy | 474.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 5.6 | 294 | 30 % Peg 2000, Na+ / K+ Phosphate Buffer pH 5.6 |
