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 |