3O1J
Crystal Structure of the TorS sensor domain - TorT complex in the absence of isopropanol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2007-10 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.97900 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.390, 127.669, 306.534 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.960 - 2.950 |
Rwork | 0.226 |
R-free | 0.24900 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.950 |
High resolution limit [Å] | 2.950 | 2.060 |
Rmerge | 0.076 | 0.472 |
Number of reflections | 63235 | |
<I/σ(I)> | 6.6 | |
Completeness [%] | 98.2 | 98.7 |
Redundancy | 4.1 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.15 | 4-7% isopropanol, 0.9-1.4M NH4Citrate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |