1JH6

Semi-reduced Cyclic Nucleotide Phosphodiesterase 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	2000-11-11
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	H 3 2
Unit cell lengths	99.380, 99.380, 175.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.000 * - 1.800
R-factor	0.192 *
Rwork	0.192
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	oxidised CPDase (A. thaliana) [delta 90-115]
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.075	0.474
Total number of observations	306271 *
Number of reflections	29387
<I/σ(I)>	19
Completeness [%]	94.1	95.7
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	285	(NH4)2SO4, NaOAc, DTT, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 285K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.2-2.0 (M)
2	1	reservoir		0.1 (M)	pH5.0
3	1	drop	DTT	12.5 (mM)
4	1	drop		100 (mM)
5	1	drop	Tris-HCl	20 (mM)	pH8.0
6	1	drop	protein	10 (mg/ml)