4N13
Crystal Structure of PstS (BB_0215) from Borrelia burgdorferi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.307, 84.558, 42.947 |
| Unit cell angles | 90.00, 105.57, 90.00 |
Refinement procedure
| Resolution | 41.371 - 1.300 |
| R-factor | 0.1381 |
| Rwork | 0.137 |
| R-free | 0.16060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1twy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.214 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.300 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Number of reflections | 53905 | |
| Completeness [%] | 98.9 | 98.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 293 | 2 M Ammonium sulfate 0.1 M citric acid, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
