3I0O

Crystal Structure of Spectinomycin Phosphotransferase, APH(9)-Ia, in complex with ADP and Spectinomcyin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2004-08-28
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.008
Spacegroup name	P 31 2 1
Unit cell lengths	75.008, 75.008, 139.941
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.890 - 2.400
R-factor	0.229
Rwork	0.229
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo APH(9)-Ia
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	17953
<I/σ(I)>	18.5	2.9
Completeness [%]	97.0	85.6
Redundancy	6.4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	PEG8000, magnesium acetate, manganese chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K