9CIV
X-Ray Structure of Insulin Analog DETEMIR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | H 3 |
| Unit cell lengths | 78.698, 78.698, 39.825 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.349 - 1.600 |
| Rwork | 0.193 |
| R-free | 0.24830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.176 |
| Data reduction software | TRUNCATE |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.350 | 39.350 |
| High resolution limit [Å] | 1.600 | 8.760 |
| Rmerge | 0.032 | 0.024 |
| Rmeas | 0.034 | 0.032 |
| Rpim | 0.020 | 0.021 |
| Number of reflections | 11559 | 64 |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 95.3 | |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 293 | 0.2M Lithium sulfate monohydrate, 0.1M Tris pH 8.5, 25% w/v PEG 3350 |
