3E9Z
Crystal structure of purine nucleoside phosphorylase from Schistosoma mansoni in complex with 6-chloroguanine
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 | 2007-03-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.43000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.821, 118.121, 129.055 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.629 - 2.310 |
| R-factor | 0.18 |
| Rwork | 0.177 |
| R-free | 0.24900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1td1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.267 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | REFMAC |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 129.050 | 129.050 | 2.420 |
| High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
| Rmerge | 0.085 | 0.043 | 0.418 |
| Total number of observations | 3695 | 11203 | |
| Number of reflections | 30649 | ||
| <I/σ(I)> | 7.93 | 13.8 | 1.6 |
| Completeness [%] | 95.6 | 98.4 | 90.3 |
| Redundancy | 3.2 | 3.3 | 2.7 |
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 |
