5SW1
Thaumatin Structure at pH 6.0
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 | 2013-11-09 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 0.8 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.368, 52.527, 71.026 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.116 - 1.100 |
R-factor | 0.1314 |
Rwork | 0.131 |
R-free | 0.14480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vhg |
RMSD bond length | 0.006 |
RMSD bond angle | 1.183 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.120 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.071 | 0.499 |
Number of reflections | 80097 | |
<I/σ(I)> | 49.8 | 5.64 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.8 | 6 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG8000, 50 mM ADA buffer |