2YDM
Structural characterization of angiotensin-I converting enzyme in complex with a selenium analogue of captopril
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-20 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.143, 84.533, 132.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 132.270 - 2.440 |
| R-factor | 0.21684 |
| Rwork | 0.214 |
| R-free | 0.26261 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o8a |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.420 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 132.300 | 2.600 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.090 | 0.620 |
| Number of reflections | 23627 | |
| <I/σ(I)> | 12.3 | 2.2 |
| Completeness [%] | 97.4 | 83.6 |
| Redundancy | 5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.7 | 100MM SODIUM ACETATE, 10UM ZINC SULPHATE, 15% PEG4000, pH 4.7 |
