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 |