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 |