1N71

Crystal structure of aminoglycoside 6'-acetyltransferase type Ii in complex with coenzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	110
Detector technology	CCD
Collection date	2000-04-29
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0722
Spacegroup name	P 21 21 21
Unit cell lengths	73.190, 76.920, 130.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.970 - 1.800
R-factor	0.208
Rwork	0.208
R-free	0.24100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1B87 with cofactor and water removed
RMSD bond length	0.006
RMSD bond angle	23.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000 *	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.080	0.440
Number of reflections	64971	4590 *
<I/σ(I)>	17.6	3.1
Completeness [%]	94.4	67.6 *
Redundancy	5.6	3.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	22 *	ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	drop	ammonium sulfate	1 (M)
3	1	reservoir	ammonium sulfate	2 (M)