3UQ9

Adenosine kinase from Schistosoma mansoni in complex with tubercidin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-02-11
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	59.556, 180.509, 78.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.638 - 2.343
R-factor	0.1741
Rwork	0.171
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.784
Data reduction software	XDS
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000		2.480
High resolution limit [Å]	2.340	6.660	2.340
Rmerge	0.071	0.024	0.352
Number of reflections	35262
<I/σ(I)>	11.82	33.47	2.38
Completeness [%]	96.6	88	88.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM Bis-tris pH 6.1-6.7, 200mM LiSO4, 16-20% PEG 3350 , VAPOR DIFFUSION, SITTING DROP, temperature 293K