1O94

Ternary complex between trimethylamine dehydrogenase and electron transferring flavoprotein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-15
Spacegroup name	C 1 2 1
Unit cell lengths	118.930, 211.543, 125.970
Unit cell angles	90.00, 100.03, 90.00

Refinement procedure

Resolution	20.000 * - 2.000
R-factor	0.174
Rwork	0.172
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2tmd
RMSD bond length	0.024
RMSD bond angle	2.010 *
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	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.071	0.251
Total number of observations	1099561 *
Number of reflections	184250 *
<I/σ(I)>	11.5	2.9
Completeness [%]	94.8	89.5
Redundancy	3.2

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