3QW4
Structure of Leishmania donovani UMP synthase
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 | 2008-03-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.987 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 64.722, 64.722, 477.596 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.960 - 3.000 |
R-factor | 0.23905 |
Rwork | 0.236 |
R-free | 0.30430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.080 |
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 | 3.100 |
High resolution limit [Å] | 2.990 | 6.440 | 2.990 |
Rmerge | 0.131 | 0.101 | 0.374 |
Number of reflections | 21844 | ||
<I/σ(I)> | 9.4 | ||
Completeness [%] | 87.7 | 98.7 | 39.7 |
Redundancy | 3.5 | 3.8 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | 32 % Peg400, 250 mM NaCl 0.1 M Hepes, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |