1M2D
Crystal structure at 1.05 Angstroms resolution of the Cys59Ser 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 | 2001-01-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9580 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.300, 59.800, 46.800 |
| Unit cell angles | 90.00, 109.30, 90.00 |
Refinement procedure
| Resolution | 31.200 - 1.050 |
| R-factor | 0.138 |
| Rwork | 0.137 |
| R-free | 0.16200 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1m2b Cys55Ser Aquifex aeolicus [2Fe-2S] ferredoxin structure |
| RMSD bond length | 0.017 |
| RMSD bond angle | 26.380 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.200 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.035 | 0.216 |
| Total number of observations | 358550 * | |
| Number of reflections | 77950 | |
| <I/σ(I)> | 38.2 | 6.4 |
| Completeness [%] | 95.6 | 92 |
| Redundancy | 4.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 * | 298 | 1,6 hexanediol, cobalt chloride, 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 | 67 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH8.0 |
| 3 | 1 | drop | 0.2 (M) | ||
| 4 | 1 | reservoir | 1,6-hexanediol | 1.0 (M) | |
| 5 | 1 | reservoir | 0.01 (M) | ||
| 6 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.6 |
