5F7X
Crystal structure of Mutant Q289L of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Tubercidin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-11 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9200 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.360, 81.900, 81.730 |
Unit cell angles | 90.00, 102.16, 90.00 |
Refinement procedure
Resolution | 48.886 - 1.770 |
R-factor | 0.1651 |
Rwork | 0.164 |
R-free | 0.19230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l5a |
RMSD bond length | 0.006 |
RMSD bond angle | 0.859 |
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] | 48.890 | 48.890 | 1.820 |
High resolution limit [Å] | 1.770 | 7.920 | 1.770 |
Rmerge | 0.080 | 0.044 | 0.570 |
Number of reflections | 90698 | ||
<I/σ(I)> | 10.4 | ||
Completeness [%] | 97.3 | 95.3 | 89.6 |
Redundancy | 3.8 | 3.8 | 3.7 |
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 |