9T8B
Crystal structure de novo CO2 reductase A4H73A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-07-05 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.101, 63.427, 51.477 |
| Unit cell angles | 90.00, 88.61, 90.00 |
Refinement procedure
| Resolution | 45.090 - 1.810 |
| R-factor | 0.1991 |
| Rwork | 0.198 |
| R-free | 0.22720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.740 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.090 | 1.880 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rpim | 0.020 | 0.237 |
| Number of reflections | 26502 | 2454 |
| <I/σ(I)> | 18.74 | 2.25 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.999 | 0.882 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 26 % w/v PEG 2000 MME, 0.1 M Bis-Tris pH 5.8 |
