8PI6
Crystal structure of the monomeric zinc free human insulin A22K, B3E, B26E, B29R, desB30 precursor with a Ser-Glu-Asp-Trp-Trp-Arg C-peptide and a Glu-Glu-Gly-Glu-Pro-Arg N-terminal extension
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-06 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 2.075 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.240, 60.020, 90.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.880 - 2.140 |
R-factor | 0.243 |
Rwork | 0.238 |
R-free | 0.28780 |
Structure solution method | SAD |
RMSD bond length | 0.002 |
RMSD bond angle | 0.520 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | HKL2Map |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.880 | 2.219 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.172 | 2.496 |
Rmeas | 0.173 | 2.562 |
Rpim | 0.015 | 0.514 |
Number of reflections | 14677 | 726 |
<I/σ(I)> | 33.01 | 0.8 |
Completeness [%] | 84.7 | 44.84 |
Redundancy | 109.8 | 16.1 |
CC(1/2) | 1.000 | 0.071 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 8 mg/ml protein in water precipitant: 0.1 M sodium citrate, pH 5.6, 1.o M ammonium phosphate monobasic |