1M2A
Crystal structure at 1.5 Angstroms resolution of the wild type thioredoxin-like [2Fe-2S] ferredoxin from Aquifex aeolicus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.200, 59.800, 47.200 |
| Unit cell angles | 90.00, 110.30, 90.00 |
Refinement procedure
| Resolution | 31.500 - 1.500 |
| Rwork | 0.184 |
| R-free | 0.21600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1m2b Cys55Ser Aquifex aeolicus [2Fe-2S] ferredoxin structure |
| RMSD bond length | 0.024 |
| RMSD bond angle | 25.110 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.500 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.051 | 0.404 |
| Total number of observations | 98554 * | |
| Number of reflections | 27758 | |
| <I/σ(I)> | 7.8 | 1.5 |
| Completeness [%] | 98.9 | 97.1 |
| Redundancy | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 * | 298 | zinc sulfate heptahydrate, MES buffer, polyethylene glycol monomethyl ether 550, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | pH8.0 |
| 3 | 1 | drop | 0.2 (M) | ||
| 4 | 1 | reservoir | zinc sulfate heptahydrate | 0.01 (M) | |
| 5 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
| 6 | 1 | reservoir | PEG550 MME | 25 (%) |
