5UU3
Insulin with proline analog DfP 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 | 2016-06-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.599, 47.425, 78.705 |
| Unit cell angles | 89.96, 89.93, 73.41 |
Refinement procedure
| Resolution | 34.895 - 2.250 |
| R-factor | 0.2456 |
| Rwork | 0.243 |
| R-free | 0.29220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ev6 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.678 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.350 | 39.350 | 1.760 |
| High resolution limit [Å] | 1.720 | 8.780 | 1.720 |
| Rmerge | 0.102 | 0.041 | 3.725 |
| Rmeas | 0.111 | 0.044 | 4.126 |
| Rpim | 0.044 | 0.017 | 1.757 |
| Total number of observations | 298388 | 2520 | 5064 |
| Number of reflections | 49838 | ||
| <I/σ(I)> | 5.3 | 20.2 | 0.3 |
| Completeness [%] | 83.6 | 90.1 | 32.2 |
| Redundancy | 6 | 6.3 | 4.5 |
| CC(1/2) | 0.999 | 0.998 | 0.804 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 300mM Tris pH 8, 17mM Zinc Acetate, 1% phenol, 425mM Sodium Citrate, 15% Acetone |
