1S3M

Structural and Functional Characterization of a Novel Archaeal Phosphodiesterase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-10
Detector	ADSC QUANTUM 210
Wavelength(s)	1.4582
Spacegroup name	I 41
Unit cell lengths	70.106, 70.106, 196.173
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.050 - 2.500
R-factor	0.205
Rwork	0.205
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.900
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.500
Rmerge	0.079
Number of reflections	15778
Completeness [%]	97.0
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.7M AMMONIUM SULFATE, 5mM nickel sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K