4CA5
Human Angiotensin converting enzyme in complex with a phosphinic tripeptide FI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-24 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.430, 84.980, 133.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.750 - 1.850 |
| R-factor | 0.18222 |
| Rwork | 0.181 |
| R-free | 0.21344 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xy9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.216 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.750 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.090 | 0.420 |
| Number of reflections | 52682 | |
| <I/σ(I)> | 9.9 | 2.4 |
| Completeness [%] | 94.9 | 94.4 |
| Redundancy | 4 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 0.1M MIB PH4.0, 10UM ZINC SULPHATE, 5% GLYCEROL, 15% PEG3350 |
