4TXL
Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with uracil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9611 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 95.850, 108.530, 118.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.840 - 1.920 |
| R-factor | 0.192 |
| Rwork | 0.191 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4txj |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.860 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.850 | 1.970 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.076 | 0.536 |
| Number of reflections | 94695 | |
| <I/σ(I)> | 10.5 | 2.2 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 200mM ammonium sulphate, 100mM Bis-Tris pH 5.5, 20-25% PEG 3350 |
