3A0X
Catalytic domain of histidine kinase ThkA (TM1359) (nucleotide free form 1: ammomium phosphate, monoclinic)
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 | 2007-07-05 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.593, 46.128, 38.650 |
| Unit cell angles | 90.00, 112.26, 90.00 |
Refinement procedure
| Resolution | 37.560 - 1.890 |
| R-factor | 0.218 |
| Rwork | 0.214 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a0w |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.580 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.890 | 1.900 |
| Number of reflections | 10091 | |
| <I/σ(I)> | 15.4 | 3.6 |
| Completeness [%] | 94.6 | 94.6 |
| Redundancy | 3 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.4M ammonium phosphate, VAPOR DIFFUSION, temperature 293K |
