5F49
Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with malonyl-coenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-07-15 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 46.159, 54.047, 84.847 |
Unit cell angles | 72.30, 74.57, 88.07 |
Refinement procedure
Resolution | 23.487 - 2.150 |
R-factor | 0.1939 |
Rwork | 0.192 |
R-free | 0.22660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apoenzyme |
RMSD bond length | 0.008 |
RMSD bond angle | 1.929 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.093 | 0.577 |
Number of reflections | 39176 | |
<I/σ(I)> | 16.96 | |
Completeness [%] | 95.6 | 92.9 |
Redundancy | 2.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 18% PEG 8000, 0.2 M calcium acetate hydrate, 0.1 M sodium cacodylate |