9SH3
Mutant y91h of 1-aminocyclopropane-1-carboxylate oxidase from Amborella trichopoda in complex with ACC and Co
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 | 2024-10-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97627 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.199, 61.438, 115.684 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.110 - 1.700 |
| R-factor | 0.1818 |
| Rwork | 0.180 |
| R-free | 0.21720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.292 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.270 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.098 | 1.365 |
| Rmeas | 0.103 | 1.432 |
| Rpim | 0.030 | 0.425 |
| Number of reflections | 34513 | 1797 |
| <I/σ(I)> | 12.6 | 1.5 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 11.3 | 11.1 |
| CC(1/2) | 0.999 | 0.774 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Morpheus G12 0.1 M Carboxylic acids 0.1 M Buffer System 3, pH 8.5 37.5 % v/v Precipitant Mix 4 |
