3Q2M

Crystal Structure of Spectinomycin Phosphotransferase, APH(9)-Ia, Protein Kinase Inhibitor CKI-7 Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-10-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	74.300, 74.300, 137.024
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.320 - 2.900
R-factor	0.221
Rwork	0.221
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i1a
RMSD bond length	0.008
RMSD bond angle	1.400
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]	31.320	3.000
High resolution limit [Å]	2.900	2.900
Number of reflections	10144
<I/σ(I)>	18.8	4.2
Completeness [%]	90.0	99.8
Redundancy	7.2	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	15% PEG3350, 0.2M calcium acetate, manganese chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K