4RE9
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 71290
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 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 65 |
Unit cell lengths | 262.981, 262.981, 90.508 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.699 - 2.908 |
R-factor | 0.1606 |
Rwork | 0.159 |
R-free | 0.21290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cww |
RMSD bond length | 0.006 |
RMSD bond angle | 0.896 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.164 | |
Number of reflections | 78721 | |
<I/σ(I)> | 11.4 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.3 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291.15 | 10% PEG5000, 100 mM HEPES, 14% Tacsimate, 10% dioxane, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K |