1DOF

THE CRYSTAL STRUCTURE OF ADENYLOSUCCINATE LYASE FROM PYROBACULUM AEROPHILUM: INSIGHTS INTO THERMAL STABILITY AND HUMAN PATHOLOGY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-02-20
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	65.620, 150.310, 173.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.202 *
Rwork	0.203
R-free	0.24500
RMSD bond length	0.017
RMSD bond angle	2.980
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.050	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.080	0.302
Number of reflections	100737
<I/σ(I)>	24.6
Completeness [%]	99.8	98.8
Redundancy	6.2	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	18 *	100 mM Citric Acid, 10-20% PEG 4000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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))