5HT0
Crystal structure of an Antibiotic_NAT family aminoglycoside acetyltransferase HMB0038 from an uncultured soil metagenomic sample in complex with coenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-31 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 107.016, 159.501, 146.225 |
Unit cell angles | 90.00, 94.74, 90.00 |
Refinement procedure
Resolution | 24.973 - 2.752 |
R-factor | 0.2048 |
Rwork | 0.204 |
R-free | 0.23310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nyg |
RMSD bond length | 0.014 |
RMSD bond angle | 1.827 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | BALBES |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.800 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.074 | 0.440 |
<I/σ(I)> | 17.76 | 3.19 |
Completeness [%] | 96.7 | 90.4 |
Redundancy | 4 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 11 | 298 | 2 M ammonium sulfate, 0.5 M Capso pH 11, 10mM sisomycin, 5mM coenzyme A |