3R61
Structure of the MntR Co2+ Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-10 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.930, 75.013, 96.166 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.445 - 1.900 |
| R-factor | 0.2157 |
| Rwork | 0.213 |
| R-free | 0.25810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f5d |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.859 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | EPMR |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.450 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.082 | 0.633 |
| Number of reflections | 26945 | |
| <I/σ(I)> | 18.3 | 3.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100 mM HEPES, pH 7.0, 50 mM Lithium Sulfate, 20% 1,2-Propanediol, 0.5 mM Cobalt(II) Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
