2OM1
Structure of human insulin in presence of thiocyanate at pH 6.5
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 | 2006-04-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.3 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.000, 219.480, 224.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.990 - 1.970 |
| R-factor | 0.17646 |
| Rwork | 0.175 |
| R-free | 0.21165 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | insulin hexamer R6 conformation |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.408 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.090 | 0.370 |
| Number of reflections | 102732 | |
| <I/σ(I)> | 17.7 | 2.45 |
| Completeness [%] | 99.5 | 89.2 |
| Redundancy | 8.6 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 15mM Na-SCN, 5%(v/v) ethanol, 200mM phosphate buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
