3I9W
Crystal structure of the E. coli histidine kinase sensor TorS sensor domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-01-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.99117, 0.97943, 0.97912, 0.96806 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 61.528, 137.112, 123.239 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.680 - 2.700 |
Rwork | 0.247 |
R-free | 0.30200 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE (2.08) |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.800 |
High resolution limit [Å] | 2.700 | 5.770 | 2.700 |
Rmerge | 0.074 | 0.045 | 0.383 |
Number of reflections | 14294 | ||
<I/σ(I)> | 14.5 | ||
Completeness [%] | 97.5 | 99.5 | 93.2 |
Redundancy | 6.6 | 9.4 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 1-4 butanediol, NaAcetate pH 5.5, NH4SO4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |