4XR5
X-ray structure of the unliganded thymidine phosphorylase from Salmonella typhimurium at 2.05 A resolution
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 | P 21 21 2 |
| Unit cell lengths | 114.942, 171.213, 45.343 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.716 - 2.050 |
| R-factor | 0.2225 |
| Rwork | 0.221 |
| R-free | 0.24710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4x46 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.275 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9-1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.720 | 2.080 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.044 | 0.021 |
| Number of reflections | 58911 | |
| <I/σ(I)> | 15.7 | 3.3 |
| Completeness [%] | 95.4 | 99.6 |
| Redundancy | 2.8 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M potassium thiocyanate, 0.1 M Bis Tris propane, 20% w/v PEG3350 |
