5YYQ
Structure K78A thaumatin
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 | 2012-07-08 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 0.8 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.719, 57.719, 150.386 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.070 |
R-factor | 0.133 |
Rwork | 0.133 |
R-free | 0.14100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3al7 |
RMSD bond length | 0.017 |
RMSD bond angle | 0.035 |
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 | 1.090 |
High resolution limit [Å] | 1.070 | 1.070 |
Rmerge | 0.056 | 0.496 |
Number of reflections | 112490 | |
<I/σ(I)> | 71.26 | 8.2 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 10.7 | 10.6 |
CC(1/2) | 0.999 | 0.964 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M ADA, 0.75M potassium sodium tartrate, pH 7.0 |