6XHT
Crystal structure of S. aureus TarI in complex with CDP-ribitol (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 | 2018-01-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.731, 138.598, 109.532 |
| Unit cell angles | 90.00, 96.51, 90.00 |
Refinement procedure
| Resolution | 50.649 - 1.800 |
| R-factor | 0.1715 |
| Rwork | 0.170 |
| R-free | 0.21670 |
| 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] | 50.649 | 1.864 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.056 | 0.575 |
| Number of reflections | 133473 | 13181 |
| <I/σ(I)> | 11.92 | 1.52 |
| Completeness [%] | 98.2 | 97.64 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.997 | 0.602 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.25 M sodium thiocyanate, 22.5% PEG3350, 50 mM CTP, 10 mM ribitol-5-phosphate |
