3QW3
Structure of Leishmania donovani OMP decarboxylase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.377, 98.165, 62.137 |
Unit cell angles | 90.00, 106.54, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
R-factor | 0.1939 |
Rwork | 0.193 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.031 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.064 | 0.044 | 0.277 |
Number of reflections | 62080 | ||
<I/σ(I)> | 14.8 | ||
Completeness [%] | 98.5 | 97.7 | 93.5 |
Redundancy | 4.2 | 4.2 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.6 M ammonium sulfate 10 % dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |