2X93
Crystal structure of AnCE-trandolaprilat complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-09 |
| Detector | ADSC CCD |
| Spacegroup name | H 3 |
| Unit cell lengths | 172.861, 172.861, 103.250 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.760 - 1.980 |
| R-factor | 0.19056 |
| Rwork | 0.190 |
| R-free | 0.20665 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.999 |
| 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 | 2.050 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.080 | 0.260 |
| Number of reflections | 80566 | |
| <I/σ(I)> | 9.6 | 3.7 |
| Completeness [%] | 96.9 | 87.9 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
