6MN3
Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, apoenzyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-08-17 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.170, 55.327, 94.342 |
Unit cell angles | 90.00, 102.63, 90.00 |
Refinement procedure
Resolution | 29.769 - 2.400 |
R-factor | 0.1785 |
Rwork | 0.176 |
R-free | 0.22150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sma |
RMSD bond length | 0.003 |
RMSD bond angle | 0.579 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MoRDa |
Refinement software | PHENIX ((dev_3092: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.550 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.141 | 0.997 |
Rpim | 0.080 | 0.572 |
Number of reflections | 22593 | 1154 |
<I/σ(I)> | 9.98 | 1.25 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 3.9 | 3.9 |
CC(1/2) | 0.524 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 298 | 0.1 M Tris pH 8.8, 0.2 M magnesium chloride, 25% (w/v) PEG 3350 |