9BPL

Crystal structure of Adenylosuccinate Lyase from Leishmania major

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	80
Detector technology	IMAGE PLATE
Collection date	2005-01-25
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.542
Spacegroup name	I 41 2 2
Unit cell lengths	130.020, 130.020, 316.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.250 - 1.970
R-factor	0.2122
Rwork	0.211
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.983
Data reduction software	iMOSFLM
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.250	2.000
High resolution limit [Å]	1.970	1.970
Rmerge	0.104	1.373
Rmeas	0.108
Rpim	0.028	0.382
Number of reflections	95392	4603
<I/σ(I)>	18.7
Completeness [%]	99.8	99.2
Redundancy	14.2
CC(1/2)	0.999	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	3 uL of protein solution at 10 mg.mL-1 (in a buffer containing 5 mM KPO4, 5 mM NaCl, 100 uM ADS) and 3 uL of reservoir solution (1.6 M ammonium sulfate, 0.1 M MES pH 6.5, 10% dioxane)