8F03
Thaumatin Anomalous Dataset at 293 K and 12 keV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2020-01-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 58.937, 58.937, 151.298 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.323 - 1.390 |
| Rwork | 0.111 |
| R-free | 0.13740 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.618 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELXDE |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.323 | 1.410 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.093 | 5.181 |
| Rpim | 0.013 | 0.713 |
| Number of reflections | 54660 | 2617 |
| <I/σ(I)> | 29.7 | 1.3 |
| Completeness [%] | 99.8 | 98.7 |
| Redundancy | 52.4 | 52.3 |
| CC(1/2) | 1.000 | 0.686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | 5 uL 24% potassium/sodium phosphate, 15% ethylene glycol, 0.1 M Bis-Tris, pH 6.6 + 5 uL 20mg/mL thaumatin in distilled water |
