2D45
Crystal structure of the MecI-mecA repressor-operator complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-25 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 61.464, 61.464, 419.777 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 3.800 |
| R-factor | 0.267 |
| Rwork | 0.264 |
| R-free | 0.29700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xsd |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.940 |
| High resolution limit [Å] | 3.800 | 3.800 |
| Rmerge | 0.081 | 0.470 |
| Number of reflections | 9437 | |
| <I/σ(I)> | 33.9 | 2.9 |
| Completeness [%] | 99.8 | 98.5 |
| Redundancy | 9.6 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 277 | 24% PEG 400, 150mM magnesium chloride, 80mM Na-HEPES, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | 24% PEG 400 | ||
| 2 | 1 | 1 | 150mM magnesium chloride | ||
| 3 | 1 | 1 | 80mM Na-HEPES | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | 24% PEG 400 | ||
| 6 | 1 | 2 | 150mM magnesium chloride | ||
| 7 | 1 | 2 | 80mM Na-HEPES | ||
| 8 | 1 | 2 | H2O |
