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 |