5F77
Crystal structure of Mutant S12T 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 | 74.460, 84.650, 75.920 |
| Unit cell angles | 90.00, 106.28, 90.00 |
Refinement procedure
| Resolution | 72.876 - 2.020 |
| R-factor | 0.1706 |
| Rwork | 0.168 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4l6i |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.618 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.880 | 2.070 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.086 | 0.615 |
| Number of reflections | 58891 | |
| <I/σ(I)> | 10.1 | 2.2 |
| Completeness [%] | 99.2 | 99.1 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 100mM Bris-tris or Mes, 14-18% PEG3350, pH 6.5 |
