7C5Y
Crystal structure of the iota-carbonic anhydrase from eukaryotic microalga complexed with iodide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2019-12-02 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.781, 192.898, 58.206 |
| Unit cell angles | 90.00, 96.46, 90.00 |
Refinement procedure
| Resolution | 49.600 - 2.200 |
| R-factor | 0.1688 |
| Rwork | 0.167 |
| R-free | 0.20730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MR native SAD phasing using 7C5W as a partial model |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.756 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CRANK2 |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.600 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.098 | 0.320 |
| Number of reflections | 101667 | 14779 |
| <I/σ(I)> | 14.56 | 5.17 |
| Completeness [%] | 99.0 | |
| Redundancy | 7 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 20%(w/v) PEG4000, 20%(v/v) i-propanol, 0.1 M sodium citrate pH 5.6 |
