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 |