7Q2W
Mutant T91S of uridine phosphorylase from Shewanella oneidensis
This is a non-PDB format compatible entry.
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 | 2016-05-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.964 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.400, 95.490, 91.410 |
| Unit cell angles | 90.00, 120.03, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.654 |
| Rwork | 0.191 |
| R-free | 0.23240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4r2x |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.315 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 159146 | 23356 |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 97.0 | |
| Redundancy | 5.09 | |
| CC(1/2) | 0.990 | 0.880 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bis-Tris, pH 6.5, 0.2 M ammonium sulfate, PEG 3350 |
