5X9M
Structure of hyper-sweet thaumatin (D21N)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-12-10 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 0.8 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.964, 57.964, 150.222 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 0.930 |
Rwork | 0.137 |
R-free | 0.14700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3al7 |
RMSD bond length | 0.018 |
RMSD bond angle | 0.037 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 0.950 |
High resolution limit [Å] | 0.930 | 0.930 |
Rmerge | 0.056 | 0.479 |
Number of reflections | 171567 | |
<I/σ(I)> | 62.22 | 3.8 |
Completeness [%] | 99.8 | 97.4 |
Redundancy | 7.7 | 3.8 |
CC(1/2) | 0.999 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M ADA, 0.75 M sodium potassium tartrate |