4YV0
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine- 2-carboxamid
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 | 43.560, 99.783, 135.005 |
| Unit cell angles | 90.00, 90.64, 90.00 |
Refinement procedure
| Resolution | 29.410 - 1.950 |
| R-factor | 0.21023 |
| Rwork | 0.208 |
| R-free | 0.25251 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bwb |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.037 |
| 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] | 29.610 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.069 | 0.355 |
| Number of reflections | 76898 | |
| <I/σ(I)> | 26.5 | 4.3 |
| Completeness [%] | 96.3 | 94.87 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG4000, ammonium sulfate, bis-Tris |
