7O5J
Structure of thaumatin determined at SwissFEL using native-SAD at 6.02 keV with photon energy bandwidth of 2.15% and pinkIndexer
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 | 23.140 - 2.050 |
| R-factor | 0.158 |
| Rwork | 0.157 |
| R-free | 0.17380 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.964 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | SHARP |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.140 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 31565 | 2114 |
| <I/σ(I)> | 23.12 | 1.01 |
| Completeness [%] | 100.0 | 0.998 |
| Redundancy | 1218 | 30 |
| CC(1/2) | 0.999 | 0.426 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7 | 293 | 1.6 M potassium sodium tartrate tetrahydrate, 100 mM Na-HEPES |
