5CO6
Crystal structure of human zinc insulin at pH 6.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-20 |
Detector | OXFORD TITAN CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 |
Unit cell lengths | 81.691, 81.691, 33.780 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 13.620 - 1.800 |
R-factor | 0.1865 |
Rwork | 0.184 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 2.110 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless (0.1.26) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 13.620 | 13.620 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.103 | 0.033 | 0.381 |
Rpim | 0.057 | 0.024 | 0.321 |
Total number of observations | 31612 | 137 | 961 |
Number of reflections | 7764 | ||
<I/σ(I)> | 8.5 | 29.6 | 2 |
Completeness [%] | 99.8 | 71.2 | 99.8 |
Redundancy | 4.1 | 3 | 2.2 |
CC(1/2) | 0.989 | 0.996 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 2 mcL protein (6 mg/mL) + 2 mcL well 0.1 M MES buffer pH 6.5, 1.6 M MgSO4 (directly from the commercially available kit Hampton Crystal Screen II, formulation 20) |