6XHR
Crystal structure of S. aureus TarI (space group P1211)
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 | PIXEL |
Collection date | 2018-02-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.522, 138.448, 110.114 |
Unit cell angles | 90.00, 96.45, 90.00 |
Refinement procedure
Resolution | 47.706 - 2.100 |
R-factor | 0.1995 |
Rwork | 0.198 |
R-free | 0.24150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jis |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.710 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Rpim | 0.034 | 0.487 |
Number of reflections | 85407 | 8348 |
<I/σ(I)> | 13.23 | 1.4 |
Completeness [%] | 97.3 | 96.45 |
Redundancy | 3 | 2.9 |
CC(1/2) | 0.999 | 0.695 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.25 M sodium thiocyanate, 22.5% PEG3350 |