9IBB
Rhombohedral crystalline form of human insulin complexed with m-cresol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-07 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.873128 |
| Spacegroup name | H 3 |
| Unit cell lengths | 78.684, 78.684, 39.883 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.342 - 1.840 |
| Rwork | 0.178 |
| R-free | 0.22390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.134 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.342 | 1.880 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.050 | 0.408 |
| Rmeas | 0.071 | 0.577 |
| Rpim | 0.050 | 0.408 |
| Number of reflections | 7990 | 503 |
| <I/σ(I)> | 5.6 | 1.7 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 1.99 | |
| CC(1/2) | 0.993 | 0.627 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.5 | 294.15 | 13.14 mg/mL human insulin, 0.80 mM zinc acetate, 0.51% v/v m-cresol in ethanol, 10.25 mM sodium thiocyanate, 0.4 M sodium-monopotassium phosphate mixture |
