1FSI

CRYSTAL STRUCTURE OF CYCLIC NUCLEOTIDE PHOSPHODIESTERASE OF APPR>P FROM ARABIDOPSIS THALIANA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-02-04
Detector	ADSC QUANTUM 4
Spacegroup name	P 61 2 2
Unit cell lengths	125.916, 125.916, 209.897
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.910 - 2.500
R-factor	0.196
Rwork	0.196
R-free	0.26500
Structure solution method	SIR/MAD
RMSD bond length	0.018
RMSD bond angle	2.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.081	0.144
Total number of observations	1085650 *
Number of reflections	34305
Completeness [%]	98.8	97.8
Redundancy	18	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	285	0.9 M (NH4)2SO4, 0.1 M NaAc, 10% EtOH, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K
1	VAPOR DIFFUSION, HANGING DROP	8 *	285	0.9 M (NH4)2SO4, 0.1 M NaAc, 10% EtOH, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K
1	VAPOR DIFFUSION, HANGING DROP	8 *	285	0.9 M (NH4)2SO4, 0.1 M NaAc, 10% EtOH, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K
1	VAPOR DIFFUSION, HANGING DROP	8 *	285	0.9 M (NH4)2SO4, 0.1 M NaAc, 10% EtOH, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop		100 (mM)
3	1	drop	Tris-HCl	20 (mM)
4	1	reservoir	ammonium sulfate	1.0 (M)
5	1	reservoir		0.1 (M)