2OO0
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 | 2006-10-17 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.018, 87.110, 130.080 |
| Unit cell angles | 90.00, 91.02, 90.00 |
Refinement procedure
| Resolution | 29.450 - 1.900 |
| R-factor | 0.18717 |
| Rwork | 0.184 |
| R-free | 0.21345 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d7k |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.179 |
| 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] | 29.450 | 1.949 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 92938 | |
| Completeness [%] | 97.8 | 93.3 |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 288.15 | 25% PEG3350, 0.2 M ammonium acetate, O.1M MES, 2mM XAP, 0.3 % cadaverine, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 288.15K |
