1QYD

Crystal structures of pinoresinol-lariciresinol and phenylcoumaran benzylic ether reductases, and their relationship to isoflavone reductases

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.95
Spacegroup name	P 21 21 21
Unit cell lengths	82.574, 125.959, 128.578
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.235
Rwork	0.193
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	3.540
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]	10.000
High resolution limit [Å]	2.500
Total number of observations	36439 *
Number of reflections	33210
Completeness [%]	79.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8 *	277	PEG 8000, MES, NaCl, Ca Acetate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	20 (%)
2	1	reservoir	MES	0.1 (M)	pH6.2
3	1	reservoir		0.1 (M)
4	1	reservoir	calcium acetate	0.1 (M)
5	1	drop	Tris	20 (mM)	pH8.0
6	1	drop	EDTA	1 (mM)
7	1	drop	dithiothreitol	5 (mM)
8	1	drop	protein	50 (mg/ml)