5EYT

Crystal Structure of Adenylosuccinate Lyase from Schistosoma mansoni in complex with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	I 2 2 2
Unit cell lengths	70.466, 73.114, 180.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.230 - 2.365
R-factor	0.1937
Rwork	0.192
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j91
RMSD bond length	0.002
RMSD bond angle	0.544
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.230	35.230	2.490
High resolution limit [Å]	2.360	7.480	2.360
Rmerge	0.133	0.045	0.651
Number of reflections	19416
<I/σ(I)>	8.5
Completeness [%]	99.8	98.2	99.9
Redundancy	5.4	5.1	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	100mM Tris base/bicine, 12.5% MPD, 12.5% PEG1000, 12.5% PEG3350, 30mM of each diethylene glycol, triethylene glycol, tetraethylene glycol and pentaethylene glycol