3FAZ
Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase in complex with inosine
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 | 2007-04-27 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.459 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.785, 118.668, 129.924 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.018 - 1.900 |
| R-factor | 0.184 |
| Rwork | 0.181 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1td1 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.245 |
| 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] | 87.706 | 87.706 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.056 | 0.033 | 0.486 |
| Total number of observations | 9679 | 39346 | |
| Number of reflections | 60248 | ||
| <I/σ(I)> | 9.028 | 17 | 1.5 |
| Completeness [%] | 99.9 | 98.3 | 99.8 |
| Redundancy | 4.7 | 4.7 | 4.5 |
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 |
