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 |