7O44
Structure of thaumatin determined at SwissFEL using native-SAD at 5.99 keV with photon energy bandwidth of 0.26%
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) | 2.069 |
| 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 - 2.000 |
| R-factor | 0.1446 |
| Rwork | 0.143 |
| R-free | 0.17550 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.109 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | SHARP |
| Refinement software | PHENIX (1.18.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.730 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 18561 | 2257 |
| <I/σ(I)> | 15.09 | 4.42 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 200 | 11 |
| CC(1/2) | 0.993 | 0.869 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7 | 293 | 1.6 M potassium sodium tartrate tetrahydrate, 100 mM Na-HEPES |
