7K1F
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_88558
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 | 265.540, 265.540, 90.057 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.990 - 2.600 |
R-factor | 0.1703 |
Rwork | 0.170 |
R-free | 0.20820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ifh |
RMSD bond length | 0.009 |
RMSD bond angle | 1.120 |
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 | 2.650 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 208480 | 5572 |
<I/σ(I)> | 20.6 | |
Completeness [%] | 100.0 | |
Redundancy | 20 | |
CC(1/2) | 0.997 | 0.741 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291.15 | 10% PEG 5000, 100mM HEPES, 14% Tacsimate, 10% Dioxane, pH 7.0 |