5B1S
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-(2-fluorophenyl)ethanamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2015-05-26 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.484, 68.163, 94.458 |
| Unit cell angles | 87.91, 87.18, 80.27 |
Refinement procedure
| Resolution | 25.020 - 1.580 |
| R-factor | 0.18766 |
| Rwork | 0.185 |
| R-free | 0.23174 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yuw |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.403 |
| Data reduction software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.055 | 0.073 |
| Number of reflections | 115798 | |
| <I/σ(I)> | 33.2 | 1.7 |
| Completeness [%] | 81.5 | 91.5 |
| Redundancy | 1.9 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG4000, ammonium sulfate, tris |
