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 |