2QIR

Crystal structure of aminoglycoside acetyltransferase AAC(6')-Ib in complex whith coenzyme A and kanamycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	77
Detector technology	CCD
Collection date	2007-05-17
Detector	ADSC QUANTUM 210
Wavelength(s)	0.934
Spacegroup name	P 43 21 2
Unit cell lengths	57.404, 57.404, 145.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.080 - 2.400
R-factor	0.194
Rwork	0.192
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2prb
RMSD bond length	0.011
RMSD bond angle	1.349
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.402	72.790	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge	0.081	0.056	0.212
Total number of observations		4270	16407
Number of reflections	10187
<I/σ(I)>	8.3	10.8	3.4
Completeness [%]	100.0	99.8	100
Redundancy	13.4	10.6	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	K2HPO4 1.5 M, NaH2PO4 0.06M, Guanidine 0.1M, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K