5TZI
Crystal structure of S. aureus TarS 1-349
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-15 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 98.657, 58.656, 86.676 |
Unit cell angles | 90.00, 97.01, 90.00 |
Refinement procedure
Resolution | 44.976 - 2.300 |
R-factor | 0.2157 |
Rwork | 0.214 |
R-free | 0.25340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.687 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.5.15) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.980 | 44.980 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.071 | 0.019 | 0.738 |
Rmeas | 0.083 | ||
Rpim | 0.043 | ||
Total number of observations | 100763 | ||
Number of reflections | 27265 | ||
<I/σ(I)> | 12.2 | ||
Completeness [%] | 94.7 | 98.4 | 75.5 |
Redundancy | 3.7 | 3.4 | 3.6 |
CC(1/2) | 0.998 | 0.999 | 0.756 |
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 |