3P2X
Insulin fibrillation is the Janus face of induced fit. A chiaral clamp stabilizes the native state at the expense of activity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.94800 |
| Spacegroup name | H 3 |
| Unit cell lengths | 78.363, 78.363, 36.848 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.380 - 2.000 |
| Rwork | 0.229 |
| R-free | 0.31400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3jsd |
| RMSD bond angle | 0.007 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.380 | 2.130 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.046 | 0.232 |
| Number of reflections | 5176 | |
| <I/σ(I)> | 12.1 | 12.7 |
| Completeness [%] | 90.4 | 84.2 |
| Redundancy | 2.1 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 298 | 0.05 M sodium citrate, 1% phenol, 0.04% zinc acetate, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
