1S3L

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	2002-11-21
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9790
Spacegroup name	I 41
Unit cell lengths	83.722, 83.722, 149.472
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.410 - 2.400
R-factor	0.226
Rwork	0.226
R-free	0.25300
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.900
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	20082
<I/σ(I)>	24.5	5.5
Redundancy	12	4.5

Crystallization Conditions

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