5TZK
Crystal structure of S. aureus TarS 1-349 in complex with UDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-08-20 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.070, 60.190, 65.390 |
Unit cell angles | 90.00, 101.51, 90.00 |
Refinement procedure
Resolution | 28.281 - 2.220 |
R-factor | 0.1779 |
Rwork | 0.176 |
R-free | 0.21850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.000 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.5.26) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.290 | 28.290 | 2.280 |
High resolution limit [Å] | 2.220 | 9.930 | 2.220 |
Rmerge | 0.050 | 0.022 | 0.203 |
Rmeas | 0.056 | ||
Rpim | 0.025 | ||
Total number of observations | 97397 | ||
Number of reflections | 19997 | ||
<I/σ(I)> | 23.1 | ||
Completeness [%] | 99.5 | 96.3 | 94.2 |
Redundancy | 4.9 | 4.5 | 4.3 |
CC(1/2) | 0.999 | 0.999 | 0.956 |
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 |