1QYC

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-01-23
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	66.195, 67.941, 75.019
Unit cell angles	90.00, 115.08, 90.00

Refinement procedure

Resolution	10.000 - 2.200
R-factor	0.226
Rwork	0.195
R-free	0.23400 *
Structure solution method	MAD, MIR
RMSD bond length	0.016
RMSD bond angle	2.910
Data scaling software	SCALA
Phasing software	SOLVE (/ RESOLVE)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	10.000
High resolution limit [Å]	2.200
Total number of observations	144316 *
Number of reflections	26284
Completeness [%]	98.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8	277	PEG 8000, Na cacodylate, Na citrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	30 (%)
2	1	reservoir	sodium cacodylate	0.1 (M)
3	1	reservoir	sodium citrate	0.2 (M)
4	1	drop	Tris	20 (mM)	pH8.0
5	1	drop	EDTA	1 (mM)
6	1	drop	dithiothreitol	5 (mM)
7	1	drop	protein	50 (mg/ml)