6BQ4
Crystal structure of Medicago truncatula Thermospermine Synthase (MtTSPS) in complex with adenosine
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) | 0.9793 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 81.040, 81.040, 163.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.950 - 1.890 |
| R-factor | 0.18797 |
| Rwork | 0.187 |
| R-free | 0.23546 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bq2 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.793 |
| 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] | 46.950 | 2.010 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.067 | 1.268 |
| Number of reflections | 44135 | 6935 |
| <I/σ(I)> | 23.9 | 2.4 |
| Completeness [%] | 99.8 | 98.9 |
| Redundancy | 12.8 | 13 |
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 MES buffer; cryo: 25% glycerol, Bis-Tris propane pH 6.5, 10% PEG3350, 0.1 M Magnesium Chloride |
