7O53
Structure of thaumatin determined at SwissFEL using native-SAD at 6.02 keV with photon energy bandwidth of 2.15% and XGANDALF with 50000 indexed images
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 | 2019-05-01 |
Detector | PSI JUNGFRAU 16M |
Wavelength(s) | 2.059 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.520, 58.520, 151.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.730 - 2.200 |
R-factor | 0.1583 |
Rwork | 0.156 |
R-free | 0.19410 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.086 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | SHARP |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.800 | 2.250 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 25539 | 1738 |
<I/σ(I)> | 11.1 | 0.94 |
Completeness [%] | 100.0 | 100 |
Redundancy | 206 | |
CC(1/2) | 0.998 | 0.424 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7 | 293 | 1.6 M potassium sodium tartrate tetrahydrate, 100 mM Na-HEPES |