3E3S
Structure of thaumatin with the magic triangle I3C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-03 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.707, 57.707, 149.582 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.700 - 1.730 |
| R-factor | 0.158 |
| Rwork | 0.158 |
| R-free | 0.21000 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.024 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | SHELXD |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.700 | 1.830 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.056 | 0.120 |
| Number of reflections | 27271 | |
| <I/σ(I)> | 47.5 | 25.5 |
| Completeness [%] | 99.6 | 97.9 |
| Redundancy | 26.8 | 24.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | 0.05M ADA, 0.8M potassium sodium tartrate, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
