25HL
SFX crystal structure of insulin detemir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL2 |
| Synchrotron site | SACLA |
| Beamline | BL2 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2023-10-26 |
| Detector | MPCCD |
| Wavelength(s) | 0.99 |
| Spacegroup name | H 3 |
| Unit cell lengths | 81.580, 81.580, 81.330 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.540 - 2.850 |
| R-factor | 0.3 |
| Rwork | 0.252 |
| R-free | 0.28520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.846 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.950 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Number of reflections | 10503 | 528 |
| <I/σ(I)> | 3.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 20 | |
| CC(1/2) | 0.780 | 0.670 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M sodium acetate trihydrate, pH 8.5, 0.1 M Tris-HCl |
