4YV0
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine- 2-carboxamid
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 | 43.560, 99.783, 135.005 |
Unit cell angles | 90.00, 90.64, 90.00 |
Refinement procedure
Resolution | 29.410 - 1.950 |
R-factor | 0.21023 |
Rwork | 0.208 |
R-free | 0.25251 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bwb |
RMSD bond length | 0.019 |
RMSD bond angle | 2.037 |
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] | 29.610 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.069 | 0.355 |
Number of reflections | 76898 | |
<I/σ(I)> | 26.5 | 4.3 |
Completeness [%] | 96.3 | 94.87 |
Redundancy | 3.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG4000, ammonium sulfate, bis-Tris |