5BPO
Human insulin with intra-chain chemical crosslink between modified B27 and B29
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 66.103, 45.968, 43.929 |
| Unit cell angles | 90.00, 128.50, 90.00 |
Refinement procedure
| Resolution | 34.380 - 1.900 |
| R-factor | 0.23929 |
| Rwork | 0.235 |
| R-free | 0.30410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mso |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.133 |
| Data reduction software | xia2 |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.380 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.068 | 0.553 |
| Number of reflections | 8033 | |
| <I/σ(I)> | 12.7 | 3 |
| Completeness [%] | 97.7 | 92.7 |
| Redundancy | 3.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3 | 293 | 0.05 M Li2SO4 |
