4L5A
Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with tubercidin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.068, 82.680, 150.558 |
| Unit cell angles | 90.00, 101.34, 90.00 |
Refinement procedure
| Resolution | 29.200 - 2.299 |
| R-factor | 0.1904 |
| Rwork | 0.189 |
| R-free | 0.21920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.791 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.440 |
| High resolution limit [Å] | 2.299 | 6.730 | 2.299 |
| Rmerge | 0.048 | 0.017 | 0.236 |
| Number of reflections | 158912 | 6496 | 25362 |
| <I/σ(I)> | 13.02 | 32.35 | 3.53 |
| Completeness [%] | 93.2 | 95.6 | 92.5 |
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, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
