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 |
