4AJZ
Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-15 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 |
| Unit cell lengths | 79.550, 79.550, 38.970 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.920 - 1.800 |
| R-factor | 0.19545 |
| Rwork | 0.189 |
| R-free | 0.25477 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ev3 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.781 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.930 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.040 | 0.390 |
| Number of reflections | 7500 | |
| <I/σ(I)> | 14.7 | 2.4 |
| Completeness [%] | 87.9 | 52.6 |
| Redundancy | 2.49 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | MICROBATCH METHOD 5MM PHENOL, 0.4M NACL; 6% (V/V) ETHANOL, 100MM HEPES PH 7.5 |
