6S19
Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from all available 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) | 2.713 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.500, 58.500, 151.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.979 - 2.650 |
R-factor | 0.1522 |
Rwork | 0.150 |
R-free | 0.18700 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.932 |
Data reduction software | CrystFEL (0.8.0) |
Data scaling software | CrystFEL (0.8.0) |
Phasing software | CRANK2 |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.710 | 2.710 |
High resolution limit [Å] | 2.650 | 2.650 |
Number of reflections | 14496 | 1066 |
<I/σ(I)> | 34.97 | |
Completeness [%] | 100.0 | |
Redundancy | 1292 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7 | 293 | (1.6 M potassium sodium tartrate tetrahydrate, 100 mM Na-HEPES |