6XHS
Crystal structure of S. aureus TarI in complex with CTP (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 | 49.357, 138.521, 109.564 |
| Unit cell angles | 90.00, 96.46, 90.00 |
Refinement procedure
| Resolution | 49.044 - 2.900 |
| R-factor | 0.2132 |
| Rwork | 0.210 |
| R-free | 0.26690 |
| 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] | 49.044 | 3.004 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rpim | 0.108 | 0.593 |
| Number of reflections | 32332 | 3173 |
| <I/σ(I)> | 6.08 | 1.35 |
| Completeness [%] | 99.7 | 99.81 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.989 | 0.539 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.25 M sodium thiocyanate, 22.5% PEG3350, 20 mM CTP, 20 mM magnesium chloride |
