7JP3
Des-B29,B30-insulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-08 |
Detector | Nonius Kappa CCD |
Wavelength(s) | 0.97924 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.606, 60.001, 61.448 |
Unit cell angles | 90.00, 95.17, 90.00 |
Refinement procedure
Resolution | 37.800 - 1.950 |
R-factor | 0.2155 |
Rwork | 0.214 |
R-free | 0.24920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xw7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.382 |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
High resolution limit [Å] | 1.949 | 5.290 | 1.950 |
Rmerge | 0.063 | 0.037 | 0.731 |
Rmeas | 0.074 | 0.043 | 0.855 |
Rpim | 0.038 | 0.023 | 0.440 |
Number of reflections | 18729 | 979 | 913 |
<I/σ(I)> | 8.7 | ||
Completeness [%] | 98.8 | 99.2 | 98.3 |
Redundancy | 3.8 | 3.6 | 3.7 |
CC(1/2) | 0.997 | 0.609 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1:2.5 ratio of Zn2+ to protein monomer in 0.02M Tris-HCl, 0.05M sodium citrate, 5% acetone, 0.03% phenol, 0.01% zinc acetate, PH 8.0 |