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 |