4X46
X-RAY structure thymidine phosphorylase from Salmonella typhimurium complex with SO4 at 2.19 A
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 | 189.927, 189.927, 57.958 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.870 - 2.200 |
| R-factor | 0.1842 |
| Rwork | 0.183 |
| R-free | 0.22370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eaf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.234 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.870 | 2.330 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.064 | |
| Number of reflections | 47158 | |
| <I/σ(I)> | 14.3 | 2.11 |
| Completeness [%] | 89.0 | 91.1 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 0.1 M Bicine, 1.6 Ammonium sulfate |
