4HV5
Structure of the MNTR FE2+ complex with E site metal binding
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 21 21 21 |
| Unit cell lengths | 45.980, 75.230, 97.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.990 - 1.900 |
| R-factor | 0.233 |
| Rwork | 0.230 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MNTR |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.910 |
| 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] | 22.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.109 | 0.595 |
| Number of reflections | 26399 | |
| <I/σ(I)> | 9.2 | 2.7 |
| Completeness [%] | 96.8 | 97.4 |
| Redundancy | 6.2 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 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 |
