5Y4P
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 5-methoxy-2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenol
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 | 2014-05-13 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.819, 99.726, 134.254 |
| Unit cell angles | 90.00, 91.57, 90.00 |
Refinement procedure
| Resolution | 49.860 - 2.160 |
| R-factor | 0.2356 |
| Rwork | 0.233 |
| R-free | 0.28345 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b1s |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.626 |
| 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 | 2.210 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.077 | 0.391 |
| Number of reflections | 60679 | |
| <I/σ(I)> | 16.8 | 2.7 |
| Completeness [%] | 94.2 | 93.9 |
| Redundancy | 1.7 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | Bis-Tris, Ammonium sulfate, PEG4000 |
