4YYY
X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with uridine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-21 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | I 4 |
| Unit cell lengths | 193.933, 193.933, 57.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.057 - 2.430 |
| R-factor | 0.2072 |
| Rwork | 0.204 |
| R-free | 0.27150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xr5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.157 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.060 | 2.570 | |
| High resolution limit [Å] | 2.430 | 7.210 | 2.430 |
| Rmerge | 0.070 | 0.031 | 0.503 |
| Rmeas | 0.077 | 0.035 | 0.557 |
| Total number of observations | 173860 | ||
| Number of reflections | 38090 | 1372 | 6020 |
| <I/σ(I)> | 11.97 | 41.7 | 1.77 |
| Completeness [%] | 92.8 | 82.9 | 92.1 |
| Redundancy | 4.6 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 292 | 0.1 M citric acid, 10% w/v PEG 6000 |
