4YJK
Crystal structure of C212S mutant of Shewanella oneidensis MR-1 uridine phosphorylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | KURCHATOV SNC BEAMLINE K4.4 |
| Synchrotron site | KURCHATOV SNC |
| Beamline | K4.4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-22 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.982 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.230, 95.400, 91.200 |
| Unit cell angles | 90.00, 119.98, 90.00 |
Refinement procedure
| Resolution | 19.350 - 1.680 |
| R-factor | 0.13918 |
| Rwork | 0.138 |
| R-free | 0.16142 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4r2x |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.957 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.350 | 1.780 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.090 | |
| Number of reflections | 151200 | |
| <I/σ(I)> | 12.1 | 3.7 |
| Completeness [%] | 98.0 | 93.6 |
| Redundancy | 2.8 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 294 | 0.2 M ammonium sulfate, 0.1 M Tris, pH 8.5, 25% w/v PEG 3350 |
