4L5Y
Methylthioadenosine phosphorylase from Schistosoma mansoni in APO form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.459 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.626, 82.400, 150.286 |
| Unit cell angles | 90.00, 101.60, 90.00 |
Refinement procedure
| Resolution | 19.933 - 2.096 |
| R-factor | 0.1858 |
| Rwork | 0.184 |
| R-free | 0.22660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.792 |
| 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] | 20.000 | 20.000 | 2.220 |
| High resolution limit [Å] | 2.096 | 6.030 | 2.096 |
| Rmerge | 0.102 | 0.040 | 0.626 |
| Number of reflections | 111617 | 4770 | 17346 |
| <I/σ(I)> | 10.16 | 27.32 | 2.35 |
| Completeness [%] | 98.4 | 96.5 | 95.9 |
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 |
