5F7J
Crystal structure of Mutant 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 | 81.493, 82.106, 150.267 |
| Unit cell angles | 90.00, 101.10, 90.00 |
Refinement procedure
| Resolution | 73.727 - 1.660 |
| R-factor | 0.1961 |
| Rwork | 0.195 |
| R-free | 0.22630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4l6i |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.895 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 76.760 | 76.760 | 1.720 |
| High resolution limit [Å] | 1.660 | 6.210 | 1.660 |
| Rmerge | 0.084 | 0.049 | 0.737 |
| Number of reflections | 221276 | ||
| <I/σ(I)> | 7.8 | ||
| Completeness [%] | 96.5 | 99.9 | 75.7 |
| Redundancy | 3.8 | 4.1 | 2.3 |
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 |
