5BQQ
Human insulin with intra-chain chemical crosslink between modified B27 and B30
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | P 31 |
| Unit cell lengths | 60.992, 60.992, 81.919 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.820 - 1.540 |
| R-factor | 0.16281 |
| Rwork | 0.161 |
| R-free | 0.19458 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mso |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.030 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.390 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.068 | 0.488 |
| Number of reflections | 50773 | |
| <I/σ(I)> | 18.8 | 3.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.6 M Na2SO4, 0.3 M Tris pH 7.5, 0.6 mM Zn(Ac)2, 0.06% (w/v) phenol |
