6N21
Structure of wild-type 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 | 2018-08-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 101.305, 101.305, 449.205 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.410 - 2.040 |
| R-factor | 0.18269 |
| Rwork | 0.181 |
| R-free | 0.21107 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5u8x |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.417 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.160 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Number of reflections | 168673 | 24186 |
| <I/σ(I)> | 13.9 | |
| Completeness [%] | 97.9 | |
| Redundancy | 10.4 | |
| CC(1/2) | 0.998 | 0.492 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 281 | 28 % sodium polyacrylate 0.1 M HEPES pH 6 |
