3FNQ
Crystal structure of schistosoma purine nucleoside phosphorylase in complex with hypoxanthine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.459 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.941, 118.208, 129.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.299 - 1.850 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1td1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.074 |
| 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] | 87.406 | 130.190 | 1.950 |
| High resolution limit [Å] | 1.850 | 5.850 | 1.850 |
| Rmerge | 0.052 | 0.030 | 0.328 |
| Total number of observations | 7292 | 29740 | |
| Number of reflections | 63249 | ||
| <I/σ(I)> | 9.26 | 18.9 | 2.3 |
| Completeness [%] | 99.1 | 98.8 | 97.8 |
| Redundancy | 3.4 | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 18-20% PEG1500, 20% glycerol, 32mM Sodium Acetate, pH 4.9-5.0, vapor diffusion, temperature 277K |
