6BQ5
Crystal structure of Medicago truncatula Thermospermine Synthase (MtTSPS) in complex with 5'-methylthioadenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 82.766, 82.766, 164.194 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.660 - 1.800 |
| R-factor | 0.17646 |
| Rwork | 0.176 |
| R-free | 0.21608 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bq2 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.690 |
| Data reduction software | XDS (May 1, 2016) |
| Data scaling software | XSCALE (Nov 1, 2016) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.660 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.062 | 1.049 |
| Number of reflections | 53857 | 8457 |
| <I/σ(I)> | 22.2 | 2.5 |
| Completeness [%] | 99.8 | 99.1 |
| Redundancy | 8.6 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 10% PEG3350, 0.1 M Magnesium Chloride, 0.1 M Bis-Tris propane buffer cryo 25% glycerol |
