4AA1
Crystal structure of ANCE in complex with Angiotensin-II
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 | 2010-05-09 |
| Detector | ADSC CCD |
| Spacegroup name | H 3 |
| Unit cell lengths | 173.414, 173.414, 102.245 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.570 - 1.990 |
| R-factor | 0.18948 |
| Rwork | 0.188 |
| R-free | 0.21072 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x8y |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.986 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.060 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.050 | 0.230 |
| Number of reflections | 78501 | |
| <I/σ(I)> | 19 | 4 |
| Completeness [%] | 98.4 | 91.9 |
| Redundancy | 3.1 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M HEPES 7.5, 1.3 M SODIUM CITRATE |
