1TD1
Crystal Structure of the Purine Nucleoside Phosphorylase from Schistosoma mansoni in complex with acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.231, 120.212, 131.933 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.900 |
| R-factor | 0.1875 |
| Rwork | 0.187 |
| R-free | 0.21011 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SmPNP refined at 2.1 angstrons |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.051 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.400 |
| Number of reflections | 58392 | |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 93.5 | 89.3 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | PEG 1500, Glycerol, acetate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
