4YUY
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with isoquinolin-1-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 | 2014-01-20 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.766, 94.108, 68.180 |
| Unit cell angles | 90.00, 100.41, 90.00 |
Refinement procedure
| Resolution | 30.610 - 1.580 |
| R-factor | 0.20015 |
| Rwork | 0.198 |
| R-free | 0.23561 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bwb |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.206 |
| 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] | 31.580 | 1.622 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.104 | 0.222 |
| Number of reflections | 71049 | |
| <I/σ(I)> | 38.6 | 9.6 |
| Completeness [%] | 98.8 | 99.2 |
| Redundancy | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG4000, ammonium sulfate, bis-Tris |
