6WES
Crystal structure of the effector SnTox3 from Parastagonospora nodorum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-03-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.870, 29.910, 56.050 |
| Unit cell angles | 90.00, 102.12, 90.00 |
Refinement procedure
| Resolution | 26.020 - 1.360 |
| R-factor | 0.1748 |
| Rwork | 0.173 |
| R-free | 0.19890 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.054 |
| Data reduction software | XDS (VERSION Nov 1, 2016) |
| Data scaling software | XSCALE (VERSION Nov 1, 2016) |
| Phasing software | CRANK2 |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.020 | 1.407 |
| High resolution limit [Å] | 1.359 | 1.359 |
| Rmerge | 0.027 | 0.303 |
| Rmeas | 0.033 | 0.370 |
| Number of reflections | 34893 | 3364 |
| <I/σ(I)> | 22.31 | 3.79 |
| Completeness [%] | 98.7 | 95.79 |
| Redundancy | 3 | 3 |
| CC(1/2) | 0.999 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M magnesium chloride hexahydrate, 0.1 M Tris pH 7.6, 20% w/v PEG 6000 |
