1O95

Ternary complex between trimethylamine dehydrogenase and electron transferring flavoprotein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-15
Spacegroup name	P 1 21 1
Unit cell lengths	102.500, 116.513, 138.706
Unit cell angles	90.00, 95.35, 90.00

Refinement procedure

Resolution	20.000 - 3.700
R-factor	0.257
Rwork	0.252
R-free	0.34800 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.075 *
RMSD bond angle	4.620 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.08)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.900
High resolution limit [Å]	3.700	3.700
Rmerge	0.112 *	0.352 *
Total number of observations	279217 *
Number of reflections	32854
<I/σ(I)>	6.8	2.7
Completeness [%]	97.1	94.3
Redundancy	2.9	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5		8% PEG 20000, 8 % PEG 750 MME, 0.1-0.3 M SODIUM ACETATE, pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG20000	30 (%(w/v))
2	1	reservoir	sodium acetate	0.2 (M)
3	1	reservoir	MES	0.1 (M)	pH6.5