4BXK
Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with a domain-specific inhibitor
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 | 2012-12-03 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 1 |
| Unit cell lengths | 73.142, 77.255, 82.866 |
| Unit cell angles | 88.43, 64.28, 75.29 |
Refinement procedure
| Resolution | 29.690 - 2.200 |
| R-factor | 0.18825 |
| Rwork | 0.187 |
| R-free | 0.21965 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nxq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.183 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.670 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.120 | 0.850 |
| Number of reflections | 73018 | |
| <I/σ(I)> | 10.5 | 2.6 |
| Completeness [%] | 91.4 | 88.7 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.06 M DIVALENT CATIONS, 0.1 M TRIS/BICINE PH 8.5, 30 % PEG550MME/PEG20000 |
