3INC
Crystal structure of human insulin with Ni+2 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-09-11 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | H 3 |
| Unit cell lengths | 81.654, 81.654, 33.767 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.470 - 1.850 |
| R-factor | 0.20571 |
| Rwork | 0.203 |
| R-free | 0.25699 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mso |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.002 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.470 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.070 | 0.025 |
| Number of reflections | 6787 | |
| <I/σ(I)> | 4.5 | 1.1 |
| Completeness [%] | 99.4 | 97 |
| Redundancy | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 0.2M Sodium Citrate, 0.12M Nickel Chloride, 1M Ammonium Sulphate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
