6S1G
Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from 50,000 diffraction patterns.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SwissFEL ARAMIS BEAMLINE ESA |
Synchrotron site | SwissFEL ARAMIS |
Beamline | ESA |
Temperature [K] | 297 |
Detector technology | PIXEL |
Collection date | 2018-08-12 |
Detector | PSI JUNGFRAU 1M |
Wavelength(s) | 2.046 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.320, 58.320, 150.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.150 - 2.000 |
R-factor | 0.1408 |
Rwork | 0.139 |
R-free | 0.16920 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.978 |
Data reduction software | CrystFEL (0.8.0) |
Data scaling software | CrystFEL (0.8.0) |
Phasing software | CRANK2 |
Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.150 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 31191 | 2155 |
<I/σ(I)> | 11.81 | |
Completeness [%] | 100.0 | |
Redundancy | 188 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7 | 293 | 1.6 M potassium sodium tartrate tetrahydrate, 100 mM Na-HEPES |