4OGL
X-ray structure uridine phosphorylase from Vibrio cholerae in complex with thymine at 1.25 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 92.748, 96.499, 92.776 |
Unit cell angles | 90.00, 119.99, 90.00 |
Refinement procedure
Resolution | 7.997 - 1.249 |
R-factor | 0.1169 |
Rwork | 0.115 |
R-free | 0.14700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ip0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.273 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.810 | 41.810 | 1.320 |
High resolution limit [Å] | 1.249 | 3.950 | 1.250 |
Rmerge | 0.025 | 0.699 | |
Total number of observations | 87580 | 330285 | |
Number of reflections | 383390 | ||
<I/σ(I)> | 17 | 23.4 | 1.1 |
Completeness [%] | 98.3 | 99.9 | 96.5 |
Redundancy | 6.7 | 7 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.2 M MgCl2.6H2O, 15%(w/v) polyethylene glycol (PEG) 4000 in 0.1 M Tris HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |