3D36
How to Switch Off a Histidine Kinase: Crystal Structure of Geobacillus stearothermophilus KinB with the Inhibitor Sda
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2006-08-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | .97949 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 66.111, 66.111, 315.572 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.410 - 2.030 |
| R-factor | 0.201 |
| Rwork | 0.200 |
| R-free | 0.21500 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.096 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Number of reflections | 52393 | |
| <I/σ(I)> | 31.6 | 4.5 |
| Completeness [%] | 98.0 | 92.2 |
| Redundancy | 6.9 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 40% 2-methyl-2,4-pentanediol, 0.2M lithium chloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K |
