3R60
Structure of the MntR Fe2+ 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 | 2010-10-05 |
| Detector | NOIR-1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.680, 45.900, 74.690 |
| Unit cell angles | 90.00, 93.50, 90.00 |
Refinement procedure
| Resolution | 21.815 - 1.800 |
| R-factor | 0.2415 |
| Rwork | 0.239 |
| R-free | 0.28470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MNTR |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.850 |
| 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] | 21.900 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.125 | 0.429 |
| Number of reflections | 31230 | |
| <I/σ(I)> | 5.8 | 2.5 |
| Completeness [%] | 99.5 | 99.1 |
| Redundancy | 3.68 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293 | 100 mM HEPES, 7.0, 90 mM Lithium Sulfate, 20% 1,2-Propanediol, 10 mM Ascorbic acid, 1 mM Ferrous Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
