2OLY
Structure of human insulin in presence of urea at pH 7.0
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 | 2006-01-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.240, 60.150, 62.920 |
| Unit cell angles | 90.00, 116.21, 90.00 |
Refinement procedure
| Resolution | 19.570 - 1.700 |
| R-factor | 0.18558 |
| Rwork | 0.184 |
| R-free | 0.22122 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | insulin hexamer R6 conformation |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.256 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0021) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.034 | 0.169 |
| Number of reflections | 34195 | |
| <I/σ(I)> | 13.75 | 4 |
| Completeness [%] | 92.1 | 63.8 |
| Redundancy | 2.1 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 2.5M NaCl, 4M urea, 100mM phosphate buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
