3UQ6

Adenosine kinase from Schistosoma mansoni in complex with adenosine and AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-09-26
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 2
Unit cell lengths	59.983, 180.530, 78.329
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.958 - 2.300
R-factor	0.2092
Rwork	0.208
R-free	0.23020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bx4
RMSD bond length	0.002
RMSD bond angle	0.573
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	180.530	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.103	0.552
Number of reflections	35871
<I/σ(I)>	10.7	1.4
Completeness [%]	93.3	88.6
Redundancy	3.4	3.4

Crystallization Conditions

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