5URU
Insulin with proline analog DhP 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 | 79.259, 79.259, 79.874 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.060 - 2.410 |
| R-factor | 0.1902 |
| Rwork | 0.187 |
| R-free | 0.24620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ev6 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.035 |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 52.060 | 34.520 | 1.710 |
| High resolution limit [Å] | 1.680 | 9.020 | 1.680 |
| Rmerge | 0.087 | 0.043 | 1.260 |
| Rmeas | 0.097 | 0.047 | 1.782 |
| Rpim | 0.042 | 0.020 | 1.260 |
| Total number of observations | 82670 | 798 | 54 |
| Number of reflections | 18094 | ||
| <I/σ(I)> | 5.4 | 22.4 | |
| Completeness [%] | 84.1 | 98.3 | 4.5 |
| Redundancy | 4.6 | 5.8 | 1.1 |
| CC(1/2) | 0.998 | 0.998 |
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 |
