6XHP
Crystal structure of S. aureus TarI (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 | 145.960, 37.905, 87.507 |
| Unit cell angles | 90.00, 115.06, 90.00 |
Refinement procedure
| Resolution | 42.950 - 1.900 |
| R-factor | 0.1937 |
| Rwork | 0.192 |
| R-free | 0.23270 |
| 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] | 42.950 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.052 | 0.619 |
| Number of reflections | 34543 | 3387 |
| <I/σ(I)> | 9.14 | |
| Completeness [%] | 99.4 | 99.06 |
| Redundancy | 3.2 | 3 |
| CC(1/2) | 0.998 | 0.593 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 298 | 0.1 M MIB buffer, pH 9, 25% PEG1500 |
