9T8A
Crystal Structure of a de novo CO2 reductase A4
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) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.212, 161.742, 74.587 |
| Unit cell angles | 90.00, 105.72, 90.00 |
Refinement procedure
| Resolution | 71.800 - 2.080 |
| R-factor | 0.1994 |
| Rwork | 0.198 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.473 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.800 | 2.140 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rpim | 0.057 | 0.618 |
| Number of reflections | 67786 | 5158 |
| <I/σ(I)> | 7.4 | 0.62 |
| Completeness [%] | 99.9 | 99.85 |
| Redundancy | 7 | |
| CC(1/2) | 0.998 | 0.559 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M Phosphate/Citrate 5.5 20 % v/v PEG Smear High |
