1H0M
Three-dimensional structure of the quorum sensing protein TraR bound to its autoinducer and to its target DNA
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-09-15 |
| Detector | ADSC CCD |
| Wavelength(s) | 0.979186, 0.979349 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.993, 94.678, 209.669 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.000 |
| Rwork | 0.233 |
| R-free | 0.28000 * |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 21.200 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SnB |
| Refinement software | CNX (2000.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.085 | 0.479 |
| Total number of observations | 278470 * | |
| Number of reflections | 27075 | |
| <I/σ(I)> | 21.8 | 5.8 |
| Completeness [%] | 98.8 | 98.2 |
| Redundancy | 10.3 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.2 | 50 MM MES PH 6.2, 200 MM CALCIUM ACETATE, 5% PEG 8000, 3 MM DTT. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.21 (mM) | |
| 2 | 1 | reservoir | MES | 50 (mM) | pH6.2 |
| 3 | 1 | reservoir | calcium acetate | 200 (mM) | |
| 4 | 1 | reservoir | PEG8000 | 5 (%(w/v)) | |
| 5 | 1 | reservoir | dithiothreitol | 3 (mM) |
