3AOK
Crystal structure of sweet-tasting protein thaumatin II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-04 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.769, 57.769, 150.126 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.270 |
R-factor | 0.1121 |
R-free | 0.14790 |
Structure solution method | AB INITIO |
RMSD bond length | 0.015 |
RMSD bond angle | 0.033 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.320 |
High resolution limit [Å] | 1.270 | 1.270 |
Rmerge | 0.072 | 0.328 |
Number of reflections | 68167 | |
<I/σ(I)> | 48.1 | 8.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.1 | 8.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.02M ADA, 0.75M TARTRATE, 25%GLYCEROL, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |