7K1E
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_88646
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 | PIXEL |
Collection date | 2019-11-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 65 |
Unit cell lengths | 267.880, 267.880, 89.611 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.840 - 2.800 |
R-factor | 0.1592 |
Rwork | 0.158 |
R-free | 0.20870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ifh |
RMSD bond length | 0.013 |
RMSD bond angle | 1.477 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.18.2_3874)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.850 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 90366 | 4495 |
<I/σ(I)> | 15.7 | |
Completeness [%] | 100.0 | |
Redundancy | 20.5 | |
CC(1/2) | 0.995 | 0.616 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 10% PEG 5000, 100mM HEPES, 14% Tacsimate, 10% Dioxane, pH 7.0 |