2ON3
A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 3-aminooxy-1-aminopropane
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-09 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.540, 104.840, 137.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.820 - 3.000 |
| R-factor | 0.23587 |
| Rwork | 0.230 |
| R-free | 0.29254 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.521 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.822 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.133 | |
| Number of reflections | 18041 | |
| <I/σ(I)> | 7.32 | |
| Completeness [%] | 100 | |
| Redundancy | 7 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 288.15 | 25% PEG3350, 0.2 M ammonium acetate, 0.1 M Bis-Tris, 2 mM APA, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 288.15K |
