6QS1
Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with BPPb
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 | 2018-12-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 72.682, 77.070, 82.363 |
| Unit cell angles | 88.86, 64.59, 75.03 |
Refinement procedure
| Resolution | 74.050 - 1.800 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| R-free | 0.23230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f9r |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.119 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_3409: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.050 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.034 | 0.618 |
| Number of reflections | 141950 | 6837 |
| <I/σ(I)> | 10.2 | 1.2 |
| Completeness [%] | 98.7 | |
| Redundancy | 10.1 | |
| CC(1/2) | 0.997 | 0.622 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000 |
