4YV2
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-phenyl-1,2-thiazol-3(2H)-one
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 | 43.658, 100.315, 71.365 |
Unit cell angles | 90.00, 107.70, 90.00 |
Refinement procedure
Resolution | 26.660 - 2.170 |
R-factor | 0.22344 |
Rwork | 0.220 |
R-free | 0.28206 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.943 |
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] | 26.660 | 2.226 |
High resolution limit [Å] | 2.170 | 2.170 |
Rmerge | 0.071 | 0.350 |
Number of reflections | 28723 | |
<I/σ(I)> | 8.6 | 1.6 |
Completeness [%] | 97.5 | 98.42 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG4000, ammonium sulfate, bis-Tris |