5F78
Crystal structure of Mutant N87T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in APO form
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 | 81.193, 82.232, 150.746 |
| Unit cell angles | 90.00, 101.55, 90.00 |
Refinement procedure
| Resolution | 28.050 - 1.852 |
| R-factor | 0.1726 |
| Rwork | 0.171 |
| R-free | 0.19950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4l5y |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.561 |
| Data reduction software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.050 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.089 | 0.566 |
| Number of reflections | 161035 | |
| <I/σ(I)> | 11 | 2.8 |
| Completeness [%] | 97.5 | 97.7 |
| Redundancy | 5.4 | 5.3 |
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 |
