5B34
Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles in Complex with Iodine-labeled Detergent HAD13a Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL3 |
| Synchrotron site | SACLA |
| Beamline | BL3 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2015-11-22 |
| Detector | MPCCD |
| Wavelength(s) | 1.771 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 46.200, 103.000, 128.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.16601 |
| Rwork | 0.163 |
| R-free | 0.21604 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.901 |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 18388 | |
| <I/σ(I)> | 5.7 | |
| Completeness [%] | 100.0 | |
| Redundancy | 107.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | 25%(w/v) DMPC/CHAPSO bicelles, 3.2 M NaH2PO4, 3.5%(w/v) triethylene glycol, 180 mM 1,6-hexanediol, 4 mM HAD13a |
