3H5Q
Crystal structure of a putative pyrimidine-nucleoside phosphorylase from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 51.591, 40.885, 105.578 |
| Unit cell angles | 90.00, 97.19, 90.00 |
Refinement procedure
| Resolution | 43.870 - 1.940 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.20400 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.696 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0089) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.068 | 0.436 |
| Number of reflections | 32421 | |
| <I/σ(I)> | 15.8 | 3.7 |
| Completeness [%] | 99.0 | 92.4 |
| Redundancy | 3.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M Tris, 0.2M ammonium sulfate, 25% PEG5K MME, 10mM Thymidine, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
