8QFX
Human Angiotensin-1 converting enzyme N-domain in complex with the lactotripeptide IPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-17 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9282 |
Spacegroup name | P 1 |
Unit cell lengths | 74.229, 103.395, 115.416 |
Unit cell angles | 84.95, 85.49, 81.55 |
Refinement procedure
Resolution | 79.452 - 1.600 |
Rwork | 0.181 |
R-free | 0.21090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.939 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 114.710 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rpim | 0.061 | 0.859 |
Number of reflections | 432760 | 20957 |
<I/σ(I)> | 6.4 | |
Completeness [%] | 97.2 | |
Redundancy | 6.9 | |
CC(1/2) | 0.998 | 0.344 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289.15 | 30% PEG 500 MME/PEG 20000, 0.1 M Tris/Bicine pH 8.5 and 60 mM divalent cations [Molecular Dimensions (Rotherham, UK) Morpheus A9] |