5FGT
Thaumatin solved by native sulphur-SAD using free-electron laser radiation
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 | 2014-07-15 |
Detector | CS-PAD CXI-2 |
Wavelength(s) | 2.066 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.600, 58.600, 151.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.1559 |
Rwork | 0.152 |
R-free | 0.18630 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.987 |
Data reduction software | CrystFEL |
Data scaling software | XSCALE |
Phasing software | autoSHARP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 29350 | |
<I/σ(I)> | 17.02 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 660.2 | 236.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 293 | 0.8 M Na, K tartrate, 0.1 M Na Hepes pH 7.0 |