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 |