5FGX
Thaumatin solved by native sulphur SAD using synchrotron radiation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-07 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 2.07 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.740, 57.740, 149.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.134 |
| R-factor | 0.1316 |
| Rwork | 0.129 |
| R-free | 0.17660 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.036 |
| Data reduction software | XDS |
| 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 | 2.190 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.041 | 0.087 |
| Number of reflections | 26126 | |
| <I/σ(I)> | 71.3 | |
| Completeness [%] | 97.0 | 61.5 |
| Redundancy | 28.9 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.6-0.8 M Na,K tartrate, 0.1 M Na Hepes pH 7.0 |
