3Q2J

Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type IIIa Protein Kinase Inhibitor CKI-7 Complex

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	2003-06-29
Detector	ADSC QUANTUM 4
Wavelength(s)	1.072
Spacegroup name	P 21 21 21
Unit cell lengths	49.837, 91.852, 131.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.587 - 2.150
R-factor	0.1937
Rwork	0.189
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j7l
RMSD bond length	0.008
RMSD bond angle	1.081
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.150	2.150
Number of reflections	32199
<I/σ(I)>	14.3	3.4
Completeness [%]	95.8	75.1
Redundancy	4.2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	18% PEG 3000, Tris pH o8.0, 0.2M calcium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K