1M2B
Crystal structure at 1.25 Angstroms resolution of the Cys55Ser variant of the 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 | 2000-06-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.8860 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.300, 59.800, 46.900 |
| Unit cell angles | 90.00, 109.80, 90.00 |
Refinement procedure
| Resolution | 44.300 - 1.250 |
| R-factor | 0.145 |
| Rwork | 0.144 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f37 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 26.480 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.300 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.047 | 0.261 |
| Total number of observations | 183676 * | |
| Number of reflections | 48256 | |
| <I/σ(I)> | 28.5 | 3.8 |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 3.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 * | 298 | PEG 4000, ammonium acetate, sodium acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 83 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH8.0 |
| 3 | 1 | drop | 0.2 (M) | ||
| 4 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
| 5 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
| 6 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.6 |
