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 |