5J7A
Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography
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] | 293 |
Detector technology | PIXEL |
Collection date | 2014-06-29 |
Detector | CS-PAD CXI-2 |
Wavelength(s) | 1.83 |
Spacegroup name | P 63 |
Unit cell lengths | 62.000, 62.000, 110.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 21.660 - 2.300 |
R-factor | 0.1926 |
Rwork | 0.191 |
R-free | 0.21810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h68 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.165 |
Data reduction software | CrystFEL (0.6.1) |
Data scaling software | CrystFEL (0.6.1) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.900 | 2.410 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 11027 | |
<I/σ(I)> | 6.56 | 1.58 |
Completeness [%] | 100.0 | 99.86 |
Redundancy | 163 | 16.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 5.6 | 293 | Precipitant: 29%-38% PEG 2000, 100 mM phosphate buffer pH 5.6. MAG 9.9 used for LCP formation. Crystallization setup in Hamilton syringe with tube of LCP surrounded by precipitant. |