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))