3ZI3
Crystal structure of the B24His-insulin - human analogue
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-06-15 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 57.450, 57.450, 56.201 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.100 - 1.700 |
R-factor | 0.17764 |
Rwork | 0.175 |
R-free | 0.22116 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mso |
RMSD bond length | 0.025 |
RMSD bond angle | 2.545 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.000 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.120 | 0.670 |
Number of reflections | 5435 | |
<I/σ(I)> | 12.6 | 3.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.2 | 12.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3 | 0.075 M LI2SO4, PH 3.0 |