6XHQ
Crystal structure of S. aureus TarI in complex with CDP-ribitol (space group C121)
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 | C 1 2 1 |
| Unit cell lengths | 148.935, 40.057, 91.823 |
| Unit cell angles | 90.00, 109.26, 90.00 |
Refinement procedure
| Resolution | 47.475 - 2.400 |
| R-factor | 0.1948 |
| Rwork | 0.194 |
| R-free | 0.23680 |
| 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] | 47.475 | 2.486 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rpim | 0.068 | 0.637 |
| Number of reflections | 20322 | 2022 |
| <I/σ(I)> | 8.45 | 1.15 |
| Completeness [%] | 99.3 | 98.83 |
| Redundancy | 3.2 | 2.8 |
| CC(1/2) | 0.996 | 0.609 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 298 | 0.1 M MIB buffer, pH 9, 25% PEG1500, 5 mM CDP-ribitol |
