5F81
Acoustic injectors for drop-on-demand serial femtosecond crystallography
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE XPP |
| Synchrotron site | SLAC LCLS |
| Beamline | XPP |
| Temperature [K] | 295 |
| Detector technology | PIXEL |
| Collection date | 2013-06-07 |
| Detector | CS-PAD XPP |
| Wavelength(s) | 1.36 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.504, 78.504, 37.618 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.510 - 2.130 |
| R-factor | 0.24706 |
| Rwork | 0.242 |
| R-free | 0.33255 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4et8 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.603 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cctbx.xfel |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.510 | 2.240 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Number of reflections | 6590 | |
| <I/σ(I)> | 14.7 | 4.5 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 15.6 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 4.6 | 295 | Batch crystallization 120 mg/ml dissolved in 0.1M sodium acetate (4.6), crystallized with 6% sodium chloride + 10% v/v glycerol |
