4AKJ
Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-07-05 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 |
| Unit cell lengths | 78.717, 78.717, 40.551 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.340 - 2.010 |
| R-factor | 0.1979 |
| Rwork | 0.196 |
| R-free | 0.22943 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ev3 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.801 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.530 | 2.030 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.040 | 0.310 |
| Number of reflections | 6176 | |
| <I/σ(I)> | 17.04 | 1.9 |
| Completeness [%] | 97.5 | 75.7 |
| Redundancy | 3.9 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
