5U02
Crystal structure of S. aureus TarS 217-571
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-23 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97881 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 105.690, 105.690, 80.500 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.830 - 2.301 |
| R-factor | 0.2258 |
| Rwork | 0.224 |
| R-free | 0.26810 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.692 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | autoSHARP |
| Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 52.830 | 52.830 | 2.370 |
| High resolution limit [Å] | 2.310 | 10.330 | 2.310 |
| Rmerge | 0.141 | 0.025 | 1.037 |
| Rmeas | 0.148 | 0.027 | 1.123 |
| Rpim | 0.045 | 0.009 | 0.421 |
| Total number of observations | 243597 | 2980 | 10521 |
| Number of reflections | 23009 | ||
| <I/σ(I)> | 18.1 | 81.1 | 1.9 |
| Completeness [%] | 98.5 | 99 | 93.8 |
| Redundancy | 10.7 | 10.1 | 6.7 |
| CC(1/2) | 0.998 | 1.000 | 0.641 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 1 M imidazole (pH 7), thermolysin |
