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 |