1J7U
Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type IIIa AMPPNP Complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 106 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.168, 91.321, 132.653 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.800 - 2.400 |
R-factor | 0.217 * |
Rwork | 0.217 |
R-free | 0.27700 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 * |
RMSD bond angle | 1.251 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.800 | 2.550 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.055 | 0.197 |
Total number of observations | 24507 * | |
Number of reflections | 92600 * | |
<I/σ(I)> | 19.5 | 3 |
Completeness [%] | 99.2 | 97.9 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | PEG 4000, isopropanol, HEPES, magnesium chloride, AMPPNP, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 8 (mg/ml) | |
2 | 1 | drop | magnesium sulfate | 1 (mM) | |
3 | 1 | drop | HEPES | 5 (mM) | |
4 | 1 | drop | 10 (mM) | ||
5 | 1 | reservoir | HEPES | 100 (mM) | |
6 | 1 | reservoir | PEG4000 | 20 (%(w/v)) | |
7 | 1 | reservoir | 2-propanol | 10 (%(v/v)) |