3WXS
Thaumatin structure determined by SPring-8 Angstrom Compact free electron Laser (SACLA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SACLA BEAMLINE BL3 |
Synchrotron site | SACLA |
Beamline | BL3 |
Temperature [K] | 296 |
Detector technology | CCD |
Collection date | 2013-12-10 |
Detector | MPCCD octal |
Wavelength(s) | 1.23 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.699, 57.699, 149.776 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.849 - 2.000 |
R-factor | 0.1591 |
Rwork | 0.157 |
R-free | 0.20030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3al7 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.132 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 22712 | |
Completeness [%] | 99.9 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | batch method | 7.2 | 293 | 0.1M ADA, 1.0M K/Na tartrate, pH 7.2, batch method, temperature 293K |