5TZ8
Crystal structure of S. aureus TarS
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 | 2015-05-02 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.851, 191.468, 97.025 |
Unit cell angles | 90.00, 109.50, 90.00 |
Refinement procedure
Resolution | 33.066 - 4.000 |
R-factor | 0.2815 |
Rwork | 0.280 |
R-free | 0.30570 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.622 |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.900 | 35.900 | 4.380 |
High resolution limit [Å] | 4.000 | 9.800 | 4.000 |
Rmerge | 0.123 | 0.027 | 0.665 |
Rmeas | 0.146 | ||
Rpim | 0.077 | ||
Total number of observations | 72521 | ||
Number of reflections | 20792 | ||
<I/σ(I)> | 8 | ||
Completeness [%] | 99.6 | 97.6 | 99.7 |
Redundancy | 3.5 | 3.4 | 3.5 |
CC(1/2) | 0.997 | 0.998 | 0.796 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 0.2M ammonium chloride, 15% w/v PEG 6000, 0.15M Tricine (pH 8.0), and 0.4M NDSB 195 |