3A0T
Catalytic domain of histidine kinase ThkA (TM1359) in complex with ADP and Mg ion (trigonal)
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 | 2006-09-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 72.943, 72.943, 91.258 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.910 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.21300 |
| Starting model (for MR) | nucleotide free structure |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.930 |
| 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] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Number of reflections | 22342 | |
| <I/σ(I)> | 51.6 | 6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.1 | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 5% isopropanol, 2.0M ammonium sulphate, VAPOR DIFFUSION, temperature 293K |
