9MH7
Structure of N-3 aminoglycoside acetyltransferase XI (AAC(3)-XI) in complex with coenzyme A, and one apo monomer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-03 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.3418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.232, 99.900, 38.960 |
| Unit cell angles | 90.00, 106.87, 90.00 |
Refinement procedure
| Resolution | 29.880 - 2.080 |
| R-factor | 0.1667 |
| Rwork | 0.163 |
| R-free | 0.20230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.568 |
| 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] | 29.880 | 2.154 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Number of reflections | 15419 | 1531 |
| <I/σ(I)> | 15.68 | |
| Completeness [%] | 99.4 | |
| Redundancy | 9.5 | |
| CC(1/2) | 0.993 | 0.924 |
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 |
