6B86
2.2A Crystal Structure of Co-CAO1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979180 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 100.695, 100.695, 448.380 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.120 - 2.200 |
| R-factor | 0.18002 |
| Rwork | 0.179 |
| R-free | 0.20529 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5u8y |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.359 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.079 | 1.089 |
| Number of reflections | 133339 | |
| <I/σ(I)> | 10.43 | |
| Completeness [%] | 98.0 | 96.1 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 281 | 50mM HEPES pH 6.5, 39% sodium polyacrylate |
