5BOQ
Human insulin with intra-chain chemical crosslink between modified B24 and B29
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 55.438, 56.865, 60.012 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.010 - 1.700 |
| R-factor | 0.19747 |
| Rwork | 0.196 |
| R-free | 0.23215 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mso |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.363 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.280 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.079 | 0.300 |
| Number of reflections | 19860 | |
| <I/σ(I)> | 15.7 | 4.3 |
| Completeness [%] | 92.6 | 60.5 |
| Redundancy | 6.2 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3 | 293 | 0.1 M (NH4)2SO4, 1% (v/v) dioxane |
