6BQ3
Crystal structure of Medicago truncatula Thermospermine Synthase (MtTSPS) in complex with 5'-S-(3-aminopropyl)-5'-thioadenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-08-18 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 81.052, 81.052, 163.128 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.590 - 1.910 |
| R-factor | 0.19034 |
| Rwork | 0.189 |
| R-free | 0.23793 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bq2 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.614 |
| Data reduction software | HKL-3000 (v716) |
| Data scaling software | HKL-3000 (v716) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.590 | 2.000 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.075 | 0.741 |
| Number of reflections | 43034 | 5266 |
| <I/σ(I)> | 17.4 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.6 | 5.6 |
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 MES buffer; cryo 33% PEG400, 10% PEG3350, 0.1 M Magnesium Chloride, Bis-Tris propane pH 6.5 |
