1JGS
Multiple Antibiotic Resistance Repressor, MarR
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.072 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 62.000, 62.000, 132.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.247 * |
| Rwork | 0.247 |
| R-free | 0.28700 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 * |
| RMSD bond angle | 1.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.060 | 0.200 |
| Total number of observations | 56495 * | |
| Number of reflections | 6069 | |
| <I/σ(I)> | 21.1 | 12 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 5.6 * | 290 | PEG MME 5000, ammonium sulfate, sodium salicylate, heptanetriol, glycerol, DTT, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG5000 MME | 18 (%(w/v)) | |
| 2 | 1 | 1 | ammonium sulfate | 200 (mM) | |
| 3 | 1 | 1 | citrate | 100 (mM) | pH5.6 |
