4UFA
Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Ac-SD
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 | 72.870, 76.720, 82.800 |
| Unit cell angles | 88.65, 64.31, 75.22 |
Refinement procedure
| Resolution | 74.240 - 1.800 |
| R-factor | 0.2036 |
| Rwork | 0.202 |
| R-free | 0.22822 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nxq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.367 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.200 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.110 | 0.650 |
| Number of reflections | 130327 | |
| <I/σ(I)> | 6.1 | 1.6 |
| Completeness [%] | 90.4 | 57.6 |
| Redundancy | 3.2 | 3.1 |
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 |
