4YUW
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with trans-4-methylcyclohexylamine
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 21 21 2 |
| Unit cell lengths | 95.190, 141.180, 43.709 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.390 - 1.970 |
| R-factor | 0.18779 |
| Rwork | 0.185 |
| R-free | 0.23274 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bwb |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.994 |
| 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] | 31.390 | 2.023 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.074 | 0.156 |
| Number of reflections | 39164 | |
| <I/σ(I)> | 37.9 | 14.6 |
| Completeness [%] | 97.2 | 94.04 |
| Redundancy | 6 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG4000, ammonium sulfate, bis-Tris |
