5TZE
Crystal structure of S. aureus TarS in complex with UDP-GlcNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-09-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 |
Unit cell lengths | 57.510, 57.580, 86.480 |
Unit cell angles | 83.81, 82.92, 61.88 |
Refinement procedure
Resolution | 31.430 - 2.330 |
R-factor | 0.1912 |
Rwork | 0.189 |
R-free | 0.23330 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.668 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.430 | 2.410 |
High resolution limit [Å] | 2.330 | 2.330 |
Rmerge | 0.080 | 0.474 |
Number of reflections | 39577 | |
<I/σ(I)> | 9.91 | 2.1 |
Completeness [%] | 95.0 | 96 |
Redundancy | 2 | 2 |
CC(1/2) | 0.933 | 0.662 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 293 | 0.2 mM lithium sulfate, 27% w/v PEG 3350, and 0.1 M Bis-Tris pH 5.5 |