4CA7
Drosophila Angiotensin converting enzyme (AnCE) in complex with a phosphinic tripeptide FI
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 | 2012-05-03 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | H 3 |
| Unit cell lengths | 173.743, 173.743, 102.178 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.880 - 1.820 |
| R-factor | 0.17696 |
| Rwork | 0.176 |
| R-free | 0.19402 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x8y |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.178 |
| 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] | 28.960 | 1.920 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.070 | 0.660 |
| Number of reflections | 102293 | |
| <I/σ(I)> | 15.1 | 2.5 |
| Completeness [%] | 99.3 | 96.7 |
| Redundancy | 5.6 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 100 MM HEPES 7.5, 1.3 M SODIUM CITRATE |
