5DJ9
Crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 in a complex with gabaculine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-06 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 |
Unit cell lengths | 56.258, 60.887, 63.499 |
Unit cell angles | 100.83, 92.38, 107.86 |
Refinement procedure
Resolution | 30.000 - 1.550 |
R-factor | 0.15963 |
Rwork | 0.158 |
R-free | 0.19031 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nog |
RMSD bond length | 0.014 |
RMSD bond angle | 1.691 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.060 | 0.550 |
Number of reflections | 109959 | |
<I/σ(I)> | 20.6 | 3.2 |
Completeness [%] | 96.5 | 94.7 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 292 | 0.2 M AmmSO4, 0.1 M Bis-Tris, 25% PEG3350, 5mM gabaculine and 2mM PLP |