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 |