8RRP
Insulin Icodec - A14E B16H B25H B29Ne-C20 diacid-LgGlu-2xAdo desB30 human insulin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-28 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 54.793, 54.793, 138.355 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.670 - 2.000 |
| R-factor | 0.1825 |
| Rwork | 0.179 |
| R-free | 0.21750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.048 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.670 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.020 | 0.175 |
| Rmeas | 0.290 | 0.248 |
| Rpim | 0.020 | 0.175 |
| Number of reflections | 14970 | 1461 |
| <I/σ(I)> | 28.48 | 3.43 |
| Completeness [%] | 99.6 | 98.9 |
| Redundancy | 1.8 | 1.9 |
| CC(1/2) | 0.999 | 0.972 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.02 calcium chloride 30 % 2-methyl-2,4-pentanediol 0.1M acetate pH4.6 |
