1F0J

CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	1998-07-26
Spacegroup name	C 2 2 21
Unit cell lengths	104.540, 159.580, 109.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 1.770
R-factor	0.204
Rwork	0.204
R-free	0.22300
RMSD bond length	0.005
RMSD bond angle	19.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	1.830
High resolution limit [Å]	1.770	1.770
Rmerge	0.060	0.452
Number of reflections	88528
<I/σ(I)>	30.3
Completeness [%]	100.0	100
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	282	PEG, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 282K
1	Vapor diffusion *	7	282	PEG, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 282K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG3000		precipitant