3A0S
PAS domain of histidine kinase ThkA (TM1359)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 43.784, 43.784, 115.448 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.470 |
| R-factor | 0.211 |
| Rwork | 0.210 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a0v |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.522 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.520 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Number of reflections | 19750 | |
| <I/σ(I)> | 41.5 | 3.5 |
| Completeness [%] | 98.7 | 88.9 |
| Redundancy | 18.2 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 50% PEG200, 0.1M sodium/potassium-phosphate pH 6.2, 0.2M sodium chloride, VAPOR DIFFUSION, temperature 293K |
