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 |