5MT3
Human insulin in complex with serotonin and arginine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | H 3 |
| Unit cell lengths | 158.640, 158.640, 76.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.890 - 2.020 |
| R-factor | 0.24 |
| Rwork | 0.236 |
| R-free | 0.30990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mso |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.692 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.900 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 46018 | |
| <I/σ(I)> | 13.6 | 2.6 |
| Completeness [%] | 98.3 | 97.7 |
| Redundancy | 4.9 | 4.6 |
| CC(1/2) | 0.998 | 0.758 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 5 mM ZnAcetate, 35 mM NaCitrate, 1.1 M NaCl, 0.3M Tris pH 7.5, 40 mM serotonin, 100 mM arginine. |
