4FG3
Crystal Structure Analysis of the Human Insulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-02 |
Detector | OXFORD TITAN CCD |
Wavelength(s) | 1.54056 |
Spacegroup name | H 3 |
Unit cell lengths | 81.559, 81.559, 33.538 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.780 - 2.001 |
R-factor | 0.2014 |
Rwork | 0.196 |
R-free | 0.25190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.755 |
Data reduction software | CrysalisPro |
Data scaling software | SCALA (3.3.20) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.780 | 13.019 | 2.110 |
High resolution limit [Å] | 2.000 | 6.330 | 2.000 |
Rmerge | 0.032 | 0.481 | |
Total number of observations | 222 | 1167 | |
Number of reflections | 5487 | ||
<I/σ(I)> | 6.5 | 22.4 | 0.9 |
Completeness [%] | 32.6 | 28.1 | 31.6 |
Redundancy | 1.9 | 1.5 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | Hanging drop: 2 uL 0.1 M sodium phosphate, 10% w/v PEG 6K + 2 uL Human Insulin 100 U/mL (Humulin R, lot #A 405936). Cryo = mother liquor + 10% glycerol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |