5CJO
Crystal Structure Analysis of Elbow-Engineered-Fab-Bound Human Insulin Degrading Enzyme (IDE) in Complex with 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 | 2015-06-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9788 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 75.689, 109.218, 263.405 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.450 - 3.287 |
R-factor | 0.1985 |
Rwork | 0.196 |
R-free | 0.24530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nxo |
RMSD bond length | 0.003 |
RMSD bond angle | 0.730 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.340 |
High resolution limit [Å] | 3.280 | 3.280 |
Rmerge | 0.100 | |
Rmeas | 0.167 | 0.937 |
Rpim | 0.043 | 0.253 |
Number of reflections | 34037 | |
<I/σ(I)> | 18.1 | |
Completeness [%] | 99.8 | |
Redundancy | 15 | |
CC(1/2) | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291.15 | 6% v/v Tacsimate pH 7.0, 0.1 M HEPES pH 7.0, 8% w/v Polyethylene glycol monomethyl ether 5,000, and 8% v/v tert-butanol as additive. |