2XY9
Human Angiotensin converting enzyme in complex with phosphinic tripeptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-13 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.730, 86.094, 134.815 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.650 - 1.970 |
| R-factor | 0.20055 |
| Rwork | 0.199 |
| R-free | 0.23180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o8a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.203 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.040 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.070 | 0.310 |
| Number of reflections | 49449 | |
| <I/σ(I)> | 15.6 | 3.3 |
| Completeness [%] | 97.8 | 93.4 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.7 | 13.5% PEG4000,50MM SODIUM ACETATE, PH 4.7 AND 0.01MM ZNSO4 |
