5USS
Insulin with proline analog PiP at position B28 in the R6 state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | H 3 |
| Unit cell lengths | 79.024, 79.024, 39.509 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.866 - 2.061 |
| R-factor | 0.1709 |
| Rwork | 0.169 |
| R-free | 0.22530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ev6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.870 | 25.870 | 1.780 |
| High resolution limit [Å] | 1.750 | 9.100 | 1.750 |
| Rmerge | 0.055 | 0.038 | 3.267 |
| Rmeas | 0.061 | 0.042 | 3.646 |
| Rpim | 0.026 | 0.017 | 1.604 |
| Total number of observations | 49116 | 398 | 2520 |
| Number of reflections | 9265 | ||
| <I/σ(I)> | 12.9 | 52.2 | 0.4 |
| Completeness [%] | 99.8 | 96.6 | 99.8 |
| Redundancy | 5.3 | 6 | 5.1 |
| CC(1/2) | 0.999 | 0.998 | 0.284 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 300mM Tris pH 8, 17mM Zinc Acetate, 1% phenol, 313mM Sodium Citrate, 11.25% Acetone |
