4E1V
X-RAY Structure of the Uridine Phosphorylase from Salmonella Typhimurium in Complex with 5-Fluorouracil at 2.15 A Resolution
Replaces: 3NSRExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-05 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 158.490, 93.210, 149.970 |
Unit cell angles | 90.00, 90.82, 90.00 |
Refinement procedure
Resolution | 28.875 - 2.150 |
R-factor | 0.196 |
Rwork | 0.194 |
R-free | 0.23830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fwp |
RMSD bond length | 0.007 |
RMSD bond angle | 0.966 |
Data reduction software | DENZO |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.200 |
High resolution limit [Å] | 2.150 | 10.000 | 2.150 |
Rmerge | 0.069 | 0.023 | 0.640 |
Number of reflections | 115000 | 1012 | 7687 |
<I/σ(I)> | 12.11 | 33.92 | 1.89 |
Completeness [%] | 96.8 | 80.8 | 97.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | 20% PEG 4000, 0.2M magnesium chloride, 0.1M cacodylate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |