1F1O

STRUCTURAL STUDIES OF ADENYLOSUCCINATE LYASES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 65 2 2
Unit cell lengths	129.530, 129.530, 282.080
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 3.250
Rwork	0.336
R-free	0.35500
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.250
Rmerge	0.058
Total number of observations	22850 *
Number of reflections	2843
Completeness [%]	87.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5 *	18 *	This particular structure is not described in this paper. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	citric acid	0.1 (M)	pH5.0
2	1	reservoir	PEG4000	10-20 (%(w/v))
3	1	reservoir		0.02 (%(w/v))