4FEU
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor anthrapyrazolone SP600125
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 | IMAGE PLATE |
| Collection date | 2011-03-21 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.752, 94.161, 96.766 |
| Unit cell angles | 61.21, 73.11, 87.36 |
Refinement procedure
| Resolution | 19.970 - 2.370 |
| R-factor | 0.1628 |
| Rwork | 0.160 |
| R-free | 0.21460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 4EJ7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.410 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Number of reflections | 67481 | |
| <I/σ(I)> | 16.35 | 2 |
| Completeness [%] | 98.4 | 98.4 |
| Redundancy | 2.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 0.1 M sodium acetate pH 4.5, 8% PEG3350, 3% DMSO, 0.2 M NDSB221, 2 mM kanamycin, 3 mM SP600125, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
