5FAK
Crystal structure of Double Mutant S12T and N87T 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 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.060, 82.090, 150.150 |
| Unit cell angles | 90.00, 101.23, 90.00 |
Refinement procedure
| Resolution | 79.508 - 1.870 |
| R-factor | 0.1827 |
| Rwork | 0.181 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f77 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.742 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 79.510 | 79.510 | 1.920 |
| High resolution limit [Å] | 1.870 | 8.360 | 1.870 |
| Rmerge | 0.105 | 0.030 | 1.100 |
| Number of reflections | 155607 | ||
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 97.7 | 94.9 | 96.6 |
| Redundancy | 4.3 | 4.1 | 4.4 |
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 |
