4AA2
Crystal structure of ANCE in complex with bradykinin potentiating peptide b
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 | 173.214, 173.214, 102.898 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.100 - 1.990 |
| R-factor | 0.20443 |
| Rwork | 0.203 |
| R-free | 0.22578 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x8y |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.027 |
| 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 | 78895 | |
| <I/σ(I)> | 18.2 | 3.5 |
| Completeness [%] | 90.3 | 85.3 |
| Redundancy | 2.6 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M HEPES 7.5, 1.3 M SODIUM CITRATE |
