4DHV
Crystal structure of the Pyrococcus furiosus ferredoxin D14C variant containing the heterometallic [AgFe3S4] cluster
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.110, 49.330, 54.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.660 - 1.950 |
| R-factor | 0.191 |
| Rwork | 0.188 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z8q |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.700 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.070 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.077 | 0.306 |
| Number of reflections | 16141 | |
| <I/σ(I)> | 7.63 | 2.13 |
| Completeness [%] | 94.5 | |
| Redundancy | 3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 277 | PEG600, malonic acid/imidazol/boric acid buffer mixture, [Co(NH3)6]Cl3, pH 7.5, vapor diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP |
