6BQ2
Crystal structure of Medicago truncatula Thermospermine Synthase (MtTSPS)
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 | 2017-03-18 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 80.530, 80.530, 164.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.810 - 1.680 |
| R-factor | 0.17626 |
| Rwork | 0.176 |
| R-free | 0.21671 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1inl |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.634 |
| Data reduction software | XDS (May 1, 2016) |
| Data scaling software | XSCALE (Nov 1, 2016) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.810 | 1.780 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.059 | 1.058 |
| Number of reflections | 62270 | 9765 |
| <I/σ(I)> | 20.9 | 2 |
| Completeness [%] | 99.7 | 98.4 |
| Redundancy | 9.4 | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 10% PEG3350, 0.1 M Magnesium Chloride and 0.1 M MES buffer; cryo 33% PEG400 |
