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 |