4G1A
Metal-binding properties of a self-assembled coiled coil: formation of a polynuclear Cd-thiolated cluster
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 30.762, 35.204, 64.123 |
| Unit cell angles | 90.00, 97.49, 90.00 |
Refinement procedure
| Resolution | 23.050 - 1.850 |
| R-factor | 0.19437 |
| Rwork | 0.191 |
| R-free | 0.25244 |
| Structure solution method | SAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.786 |
| Data reduction software | SAINT |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.050 | 1.910 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.025 | 0.250 |
| Number of reflections | 5702 | |
| <I/σ(I)> | 42.9 | 4.21 |
| Completeness [%] | 96.2 | 71 |
| Redundancy | 55.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100mM HEPES pH 7.5 and 1.5-2.0M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
