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 |