6TT3
Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with SG6.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 1 |
| Unit cell lengths | 73.617, 78.201, 83.789 |
| Unit cell angles | 88.64, 64.35, 74.64 |
Refinement procedure
| Resolution | 75.110 - 1.700 |
| R-factor | 0.1888 |
| Rwork | 0.188 |
| R-free | 0.22120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f9v |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.967 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.110 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rpim | 0.034 | 0.372 |
| Number of reflections | 172853 | 8387 |
| <I/σ(I)> | 11.6 | 1.6 |
| Completeness [%] | 97.2 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.999 | 0.511 |
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 |
