1Y1S
Crystal Structure of the Uridine Phosphorylase from Salmonella Typhimurium in Complex with Uracil and Sulfate Ion at 2.55A Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
Synchrotron site | MPG/DESY, HAMBURG |
Beamline | BW6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-06-19 |
Detector | MARRESEARCH |
Wavelength(s) | 1.05 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.990, 124.120, 133.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.840 - 2.550 |
R-factor | 0.189 |
Rwork | 0.189 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SJ9 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.500 |
Data scaling software | XDS |
Phasing software | MOLREP (V. 7.3) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.840 | 2.600 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.096 | 0.322 |
Number of reflections | 47348 | |
<I/σ(I)> | 15.8 | 3.33 |
Completeness [%] | 96.3 | 95.2 |
Redundancy | 2.9 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 295 | PEG 4000, SODIUM-ACETATE TRIHYDRATE, uracil, ammonium sulphate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |