8F01
Thaumatin Anomalous Dataset at 293 K and 7.1 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) | 1.7462 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.960, 58.960, 151.243 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.346 - 1.800 |
Rwork | 0.141 |
R-free | 0.16070 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.423 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SHELXCD |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.346 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.046 | 0.481 |
Rpim | 0.019 | 0.044 |
Number of reflections | 25629 | 1386 |
<I/σ(I)> | 20.6 | |
Completeness [%] | 99.5 | 93.8 |
Redundancy | 7.3 | 2.7 |
CC(1/2) | 0.999 | 0.742 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 298 | 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 |