4N57
Crystal structure of aminoglycoside phosphotransferase APH(2'')-IVa ADP complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.051, 65.802, 76.731 |
| Unit cell angles | 90.00, 92.43, 90.00 |
Refinement procedure
| Resolution | 49.931 - 2.350 |
| R-factor | 0.1852 |
| Rwork | 0.182 |
| R-free | 0.24770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n4v |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.189 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.980 | 49.980 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.067 | 0.067 |
| Number of reflections | 30125 | |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 291 | 75 mM Ammonium citrate 12% PEG3350, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
