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] | 293 |
Detector technology | PIXEL |
Collection date | 2013-06-07 |
Detector | CS-PAD XPP |
Wavelength(s) | 1.36 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.707, 92.707, 129.524 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 80.290 - 2.520 |
R-factor | 0.22218 |
Rwork | 0.219 |
R-free | 0.28803 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.586 |
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] | 80.300 | 2.585 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 11101 | |
<I/σ(I)> | 11.3 | 4.4 |
Completeness [%] | 99.9 | 99.88 |
Redundancy | 22 | 10.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 293 | Batch crystallization 15% ammonium sulfate |