5E3V

Truncated X-ray crystal structure of Adenylosuccinate Lyase from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9537
Spacegroup name	I 41 2 2
Unit cell lengths	165.360, 165.360, 79.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.290 - 2.720
R-factor	0.27681
Rwork	0.274
R-free	0.32581
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pts
RMSD bond length	0.017
RMSD bond angle	1.933
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.000	2.870
High resolution limit [Å]	2.720	2.720
Rmerge	0.120
Number of reflections	15037
<I/σ(I)>	10.7	3.2
Completeness [%]	99.9
Redundancy	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	291	0.1M sodium acetate trihydrate pH 4.0 and 10% Jeffamine M-600 pH 7.0 and 0.1M EDTA, under oil microbatch method