4YEK
X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with thymidine
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 | 190.919, 190.919, 57.718 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.019 - 2.550 |
| R-factor | 0.1782 |
| Rwork | 0.176 |
| R-free | 0.21540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xr5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.325 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.020 | 2.590 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.063 | 0.761 |
| Number of reflections | 64691 | |
| <I/σ(I)> | 15.72 | 1.96 |
| Completeness [%] | 97.4 | 94.1 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 292 | 0.1 M Bicine, 1.6 M AmSO4 |
