4YV2
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-phenyl-1,2-thiazol-3(2H)-one
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 | 2013-12-16 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.658, 100.315, 71.365 |
| Unit cell angles | 90.00, 107.70, 90.00 |
Refinement procedure
| Resolution | 26.660 - 2.170 |
| R-factor | 0.22344 |
| Rwork | 0.220 |
| R-free | 0.28206 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.943 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.660 | 2.226 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.071 | 0.350 |
| Number of reflections | 28723 | |
| <I/σ(I)> | 8.6 | 1.6 |
| Completeness [%] | 97.5 | 98.42 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG4000, ammonium sulfate, bis-Tris |
