9MH3
Structure of N-3 aminoglycoside acetyltransferase XI (AAC(3)-XI) in complex with acetyl coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-23 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.3418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.422, 99.512, 39.290 |
| Unit cell angles | 90.00, 106.40, 90.00 |
Refinement procedure
| Resolution | 28.510 - 1.380 |
| R-factor | 0.1594 |
| Rwork | 0.159 |
| R-free | 0.19560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.420 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | PROTEUM PLUS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.510 | 1.429 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Number of reflections | 53467 | 5348 |
| <I/σ(I)> | 15.96 | |
| Completeness [%] | 99.9 | |
| Redundancy | 10.9 | |
| CC(1/2) | 0.999 | 0.824 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 0.1M Sodium acetate pH 4.6, 10-45% (v/v) 2-methyl-2,4-pentanediol, 0-20% (v/v) PEG 400 |
