2OM0
Structure of human insulin in presence of urea at pH 6.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 58.936, 219.318, 223.674 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.310 - 2.050 |
| R-factor | 0.18638 |
| Rwork | 0.184 |
| R-free | 0.22714 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | insulin hexamer R6 conformation |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.557 |
| 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 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.086 | 0.393 |
| Number of reflections | 91251 | |
| <I/σ(I)> | 11.6 | 3.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 2M NaCl, 3M urea, 100mM phosphate buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
