9EPE
8fs pulse duration 10uJ pulse energy thaumatin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SwissFEL ARAMIS BEAMLINE ESC |
Synchrotron site | SwissFEL ARAMIS |
Beamline | ESC |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2023-09-05 |
Detector | PSI JUNGFRAU 8M |
Wavelength(s) | 1.0306 |
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 | 32.000 - 1.520 |
Rwork | 0.177 |
R-free | 0.20460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.656 |
Data reduction software | CrystFEL (10.2) |
Data scaling software | CrystFEL (10.2) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.000 | 1.560 |
High resolution limit [Å] | 1.520 | 1.520 |
Number of reflections | 41507 | 2043 |
<I/σ(I)> | 3.41 | |
Completeness [%] | 100.0 | |
Redundancy | 70.8 | |
CC(1/2) | 0.909 | 0.362 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 293 | 100 mg of thaumatin (Sigma-T7638) was dissolved in 1 ml of MiniQ water, reaching a concentration of 100 mg/ml with solutions vortexed to ensure complete dissolution. Subsequently, 200 uL of the thaumatin solution was mixed with 200 ul of 1.6 M (Na, K, tartrate) crystallization solution |