2OLZ
Structure of human insulin in presence of thiocyanate at pH 7.0
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 | 2006-04-06 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.3 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 100.600, 60.800, 62.100 |
Unit cell angles | 90.00, 116.10, 90.00 |
Refinement procedure
Resolution | 19.780 - 1.700 |
R-factor | 0.18055 |
Rwork | 0.178 |
R-free | 0.22147 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | insulin R6 conformation |
RMSD bond length | 0.011 |
RMSD bond angle | 1.248 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.750 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.041 | 0.122 |
Number of reflections | 36828 | |
<I/σ(I)> | 14.9 | 5.1 |
Completeness [%] | 92.2 | 48.4 |
Redundancy | 2.1 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 15mM Na-SCN, 5%(v/v) ethanol, 200mM phosphate buffer pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |