5AVG
The 0.95 angstrom structure of thaumatin crystallized in high-strength agarose hydrogel
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 | 2009-12-08 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.90000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.839, 57.839, 149.552 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.950 - 0.950 |
R-factor | 0.1278 |
Rwork | 0.127 |
R-free | 0.14402 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vhk |
RMSD bond length | 0.025 |
RMSD bond angle | 2.221 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.950 | 0.970 |
High resolution limit [Å] | 0.950 | 0.950 |
Rmerge | 0.054 | 0.350 |
Number of reflections | 148780 | |
<I/σ(I)> | 21.5 | 2.25 |
Completeness [%] | 92.9 | 56 |
Redundancy | 7.5 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7 | 293 | 0.1 M Hepes-NaOH (pH 7.0), 0.33 M Na/K tartrate |