4FEV
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP1
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 | 2010-12-02 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.97856 |
Spacegroup name | P 1 |
Unit cell lengths | 57.571, 94.217, 96.878 |
Unit cell angles | 61.12, 73.09, 87.44 |
Refinement procedure
Resolution | 19.969 - 1.890 |
R-factor | 0.1543 |
Rwork | 0.154 |
R-free | 0.20420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ej7 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.131 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.920 |
High resolution limit [Å] | 1.890 | 1.890 |
Number of reflections | 132466 | |
<I/σ(I)> | 27.48 | 3.024 |
Completeness [%] | 97.8 | 96.5 |
Redundancy | 3.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 0.1 M sodium acetate, 18% PEG3350, 2% DMSO, 2 mM kanamycin, 3 mM PP1, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |