4BIV
Crystal structure of CpxAHDC (trigonal form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 141.828, 141.828, 121.598 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.420 - 3.400 |
| R-factor | 0.2272 |
| Rwork | 0.227 |
| R-free | 0.23380 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.200 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.420 | 3.670 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.080 | |
| Number of reflections | 19821 | |
| <I/σ(I)> | 19.2 | 2.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 13 | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
