5EYV

Crystal Structure of Adenylosuccinate lyase from Schistosoma mansoni in APO form.

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	2014-04-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9200
Spacegroup name	P 21 21 2
Unit cell lengths	76.160, 82.630, 163.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.165 - 2.140
R-factor	0.2241
Rwork	0.222
R-free	0.25570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eyt
RMSD bond length	0.002
RMSD bond angle	0.493
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]	82.630	82.630	2.200
High resolution limit [Å]	2.140	9.570	2.140
Rmerge	0.130	0.049	0.743
Number of reflections	57766
<I/σ(I)>	10.4
Completeness [%]	99.8	98.7	99.9
Redundancy	7.2	6.7	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	100mM Mes/imidazole pH 6.5, 10%, 20% Ethylene glycol, 20mM of each D-glucose, D-mannose, D-galactose, L-fucose, D-xylose, N-acetyl-D-glucosamine