5F7X

Crystal structure of Mutant Q289L of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Tubercidin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-11
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9200
Spacegroup name	P 1 21 1
Unit cell lengths	74.360, 81.900, 81.730
Unit cell angles	90.00, 102.16, 90.00

Refinement procedure

Resolution	48.886 - 1.770
R-factor	0.1651
Rwork	0.164
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l5a
RMSD bond length	0.006
RMSD bond angle	0.859
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.890	48.890	1.820
High resolution limit [Å]	1.770	7.920	1.770
Rmerge	0.080	0.044	0.570
Number of reflections	90698
<I/σ(I)>	10.4
Completeness [%]	97.3	95.3	89.6
Redundancy	3.8	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	100mM Bris-tris or Mes, 14-18% PEG3350, pH 6.5