8V6T
Crystal structure of EcThsB2
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 | PIXEL |
| Collection date | 2021-02-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 72.931, 72.931, 217.541 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.600 - 1.980 |
| R-factor | 0.1836 |
| Rwork | 0.181 |
| R-free | 0.22620 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.987 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELXD |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.600 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.132 | 1.271 |
| Rmeas | 0.133 | 1.283 |
| Rpim | 0.018 | 0.173 |
| Number of reflections | 41733 | 2767 |
| <I/σ(I)> | 35.5 | |
| Completeness [%] | 99.7 | |
| Redundancy | 52.5 | |
| CC(1/2) | 1.000 | 0.912 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30% PEG Smear Broad, 10% ethylene glycol, 0.1 M potassium sodium tartrate tetrahydrate, 0.1 M sodium cacodylate pH 5.5 |
