3F8W
Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase in complex with adenosine
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 | 2008-03-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.4590 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.715, 121.273, 133.248 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.009 - 2.300 |
R-factor | 0.176 |
Rwork | 0.174 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1td1 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.547 |
Data reduction software | DENZO |
Data scaling software | SCALA (3.2.25) |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.930 | 46.930 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.128 | 0.065 | 0.572 |
Total number of observations | 15664 | 70600 | |
Number of reflections | 37280 | ||
<I/σ(I)> | 4.522 | 8.5 | 1.3 |
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 13.2 | 11.8 | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 18-20% PEG 1500, 20% Glycerol, 32mM Sodium acetate, VAPOR DIFFUSION, temperature 277K |