2X94
Crystal structure of AnCE-perindoprilat complex
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 | 2009-09-15 |
| Detector | ADSC CCD |
| Spacegroup name | H 3 |
| Unit cell lengths | 173.130, 173.130, 102.288 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.720 - 1.880 |
| R-factor | 0.19476 |
| Rwork | 0.194 |
| R-free | 0.21264 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.983 |
| 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 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.100 | 0.440 |
| Number of reflections | 92711 | |
| <I/σ(I)> | 7.7 | 1.4 |
| Completeness [%] | 96.7 | 81 |
| Redundancy | 2.3 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
