4L6I
Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with adenine
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 | 2010-01-30 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.459 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.270, 82.550, 150.300 |
Unit cell angles | 90.00, 100.61, 90.00 |
Refinement procedure
Resolution | 30.010 - 2.100 |
R-factor | 0.1947 |
Rwork | 0.192 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.078 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 147.730 | 30.010 | 2.210 |
High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
Rmerge | 0.048 | 0.511 | |
Total number of observations | 15929 | 84973 | |
Number of reflections | 104402 | ||
<I/σ(I)> | 8.3 | 11.6 | 1.4 |
Completeness [%] | 91.4 | 96.8 | 100 |
Redundancy | 4.9 | 4.4 | 5.1 |
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 |