4ASQ
Crystal structure of ANCE in complex with Bradykinin
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 QUANTUM 315 |
| Spacegroup name | H 3 |
| Unit cell lengths | 173.125, 173.125, 101.673 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 86.560 - 1.990 |
| R-factor | 0.18132 |
| Rwork | 0.180 |
| R-free | 0.19987 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x8y |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.914 |
| Data reduction software | HKL-2000 |
| Data scaling software | TRUNCATE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.970 | 1.900 |
| Rmerge | 0.090 | 0.420 |
| Number of reflections | 89919 | |
| <I/σ(I)> | 9.2 | 2.3 |
| Completeness [%] | 96.0 | 83.2 |
| Redundancy | 2.3 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 100 MM HEPES 1.3 M SODIUM CITRATE, pH 7.5 |
