4CA6
Human Angiotensin converting enzyme N-domain in complex with a phosphinic tripeptide FI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-09-29 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 72.925, 76.643, 82.545 |
| Unit cell angles | 88.62, 64.22, 75.58 |
Refinement procedure
| Resolution | 29.740 - 1.910 |
| R-factor | 0.18855 |
| Rwork | 0.187 |
| R-free | 0.22296 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xyd |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.350 |
| 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] | 29.700 | 2.020 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.060 | 0.630 |
| Number of reflections | 115256 | |
| <I/σ(I)> | 12.2 | 2.1 |
| Completeness [%] | 96.4 | 90.4 |
| Redundancy | 3.5 | 3.2 |
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 |
