5Y4Q
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with N-(4-methoxyphenyl)quinolin-4-amine
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 | 2014-11-17 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.977, 99.665, 134.503 |
| Unit cell angles | 90.00, 91.97, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.070 |
| R-factor | 0.24277 |
| Rwork | 0.241 |
| R-free | 0.26927 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b1s |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.795 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.089 | 0.339 |
| Number of reflections | 70814 | |
| <I/σ(I)> | 20.2 | 3.3 |
| Completeness [%] | 98.2 | 99.4 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | Bis-Tris, Ammonium sulfate, PEG 4000 |
