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 |