5F7O
Crystal structure of Mutant Q289L of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Adenine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-11 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9200 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.354, 81.873, 81.760 |
Unit cell angles | 90.00, 101.95, 90.00 |
Refinement procedure
Resolution | 27.190 - 1.815 |
R-factor | 0.1835 |
Rwork | 0.182 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l6i |
RMSD bond length | 0.004 |
RMSD bond angle | 0.656 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.190 | 27.190 | 1.910 |
High resolution limit [Å] | 1.810 | 5.740 | 1.810 |
Rmerge | 0.121 | 0.061 | 0.536 |
Number of reflections | 83708 | ||
<I/σ(I)> | 6.5 | ||
Completeness [%] | 96.7 | 98.2 | 97.8 |
Redundancy | 3.8 | 4.3 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 100mM Bris-tris or Mes, 14-18% PEG3350, pH 6.5 |